N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride

C20H27Cl2N — CID 19773300

IUPACN-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CCCCNC2CCCc3ccccc32)cc1
InChIInChI=1S/C20H25N.2ClH/c1-2-9-17(10-3-1)11-6-7-16-21-20-15-8-13-18-12-4-5-14-19(18)20;;/h1-5,9-10,12,14,20-21H,6-8,11,13,15-16H2;2*1H
InChIKeyBNWNXDKMBGIZEF-UHFFFAOYSA-N
MW352.35 g/mol
LogP5.52
Rot. Bonds6

About N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride

N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride (PubChem CID 19773300) has the molecular formula C20H27Cl2N and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
PubChem CID19773300
Molecular FormulaC20H27Cl2N
Molecular Weight352.35 g/mol
Exact Mass351.15
IUPAC NameN-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CCCCNC2CCCc3ccccc32)cc1
InChIInChI=1S/C20H25N.2ClH/c1-2-9-17(10-3-1)11-6-7-16-21-20-15-8-13-18-12-4-5-14-19(18)20;;/h1-5,9-10,12,14,20-21H,6-8,11,13,15-16H2;2*1H
InChIKeyBNWNXDKMBGIZEF-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.35
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
N-(3-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122196
N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 60894294
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43095798
N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43207352
3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63771754
N-(3-methylsulfanylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63981040
N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide
CID 77028408
N-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 15061903
N-(4-dodecylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13037714

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride?
The IUPAC name of N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride (CID 19773300) is N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride.
What is the SMILES notation for N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride?
The canonical SMILES for N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride is Cl.Cl.c1ccc(CCCCNC2CCCc3ccccc32)cc1.
What is the InChIKey of N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride?
The InChIKey is BNWNXDKMBGIZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N.2ClH/c1-2-9-17(10-3-1)11-6-7-16-21-20-15-8-13-18-12-4-5-14-19(18)20;;/h1-5,9-10,12,14,20-21H,6-8,11,13,15-16H2;2*1H.
What are the key properties of N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride?
N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride has a molecular weight of 352.35 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride is sourced from PubChem (CID 19773300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).