7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C22H30Cl2N2 — CID 68513912

IUPAC7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCNC1CCc2ccc(CCCN)cc2C1Cc1ccccc1Cl.Cl
InChIInChI=1S/C22H29ClN2.ClH/c1-2-25-22-12-11-17-10-9-16(6-5-13-24)14-19(17)20(22)15-18-7-3-4-8-21(18)23;/h3-4,7-10,14,20,22,25H,2,5-6,11-13,15,24H2,1H3;1H
InChIKeyMMHLIONVRSMSCD-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.90
Rot. Bonds7

About 7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 68513912) has the molecular formula C22H30Cl2N2 and a molecular weight of 393.40 g/mol. Its IUPAC name is 7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID68513912
Molecular FormulaC22H30Cl2N2
Molecular Weight393.40 g/mol
Exact Mass392.18
IUPAC Name7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCCNC1CCc2ccc(CCCN)cc2C1Cc1ccccc1Cl.Cl
InChIInChI=1S/C22H29ClN2.ClH/c1-2-25-22-12-11-17-10-9-16(6-5-13-24)14-19(17)20(22)15-18-7-3-4-8-21(18)23;/h3-4,7-10,14,20,22,25H,2,5-6,11-13,15,24H2,1H3;1H
InChIKeyMMHLIONVRSMSCD-UHFFFAOYSA-N
XLogP4.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride with MolForge

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Related Compounds

7-(2-aminoethoxy)-1-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 68509426
1-cyclopropyl-N-[3-[8-[(3,4-difluorophenyl)methyl]-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]methanesulfonamide
CID 59547733
3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide;hydrochloride
CID 57471464
1-[(3,4-difluorophenyl)methyl]-N-ethyl-7-(4-propylsulfonylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid
CID 158129859
[7-(2-aminoethyl)-1-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 142710204
N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine
CID 174738442
1-benzyl-N-propan-2-yl-7-(4-propylsulfonylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 159135670
N-[3-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide;hydrochloride
CID 140556013
[1-[(4-chlorophenyl)methyl]-7-[3-(propylsulfonylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 57467311
N-ethyl-1-[(4-fluorophenyl)methyl]-7-[2-(1-methylimidazol-4-yl)sulfonylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 158918222
2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63400274
1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 159439876

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 68513912) is 7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CCNC1CCc2ccc(CCCN)cc2C1Cc1ccccc1Cl.Cl.
What is the InChIKey of 7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is MMHLIONVRSMSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2.ClH/c1-2-25-22-12-11-17-10-9-16(6-5-13-24)14-19(17)20(22)15-18-7-3-4-8-21(18)23;/h3-4,7-10,14,20,22,25H,2,5-6,11-13,15,24H2,1H3;1H.
What are the key properties of 7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 393.40 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropyl)-1-[(2-chlorophenyl)methyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 68513912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).