4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C18H20ClN — CID 42601569

IUPAC4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1Cc2ccccc2C(c2ccccc2Cl)C1
InChIInChI=1S/C18H20ClN/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19/h3-10,14,17H,11-12H2,1-2H3
InChIKeyJPDOYLRZYOLBPB-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.35
Rot. Bonds2

About 4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 42601569) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID42601569
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1Cc2ccccc2C(c2ccccc2Cl)C1
InChIInChI=1S/C18H20ClN/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19/h3-10,14,17H,11-12H2,1-2H3
InChIKeyJPDOYLRZYOLBPB-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

n-Methyl sertraline
CID 18642483
(2S,4R)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10106214
3-Dechloro Sertraline Hydrochloride
CID 13408710
1-Phenyl-3-dimethylamino-1,2,3,4-tetrahydronaphthalene
CID 10015055
(2S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10037815
N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 132954
(S)-5-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11186985
(2S)-5-(2-chlorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 156011291
(2S)-5-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 156021386
(+)-cis-H2-PAT
CID 15657195
(2R,4S)-N,N,2-trimethyl-4-phenyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
CID 45260913
(2R,4R)-N,N,4-trimethyl-4-phenyl-2,3-dihydro-1H-naphthalen-2-amine
CID 9993045

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 42601569) is 4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)C1Cc2ccccc2C(c2ccccc2Cl)C1.
What is the InChIKey of 4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is JPDOYLRZYOLBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-20(2)14-11-13-7-3-4-8-15(13)17(12-14)16-9-5-6-10-18(16)19/h3-10,14,17H,11-12H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 285.82 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 42601569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).