N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C17H18ClN — CID 43221477

IUPACN-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESClc1ccccc1CNC1CCc2ccccc2C1
InChIInChI=1S/C17H18ClN/c18-17-8-4-3-7-15(17)12-19-16-10-9-13-5-1-2-6-14(13)11-16/h1-8,16,19H,9-12H2
InChIKeyCIKYJARXOAWEJH-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.99
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 43221477) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID43221477
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC NameN-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESClc1ccccc1CNC1CCc2ccccc2C1
InChIInChI=1S/C17H18ClN/c18-17-8-4-3-7-15(17)12-19-16-10-9-13-5-1-2-6-14(13)11-16/h1-8,16,19H,9-12H2
InChIKeyCIKYJARXOAWEJH-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 102615642
N-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60658203
N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114452822
N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 89120982
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 95133196
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63315178
N-(cyclobutylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43775224
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
N-(pyridazin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106895183
(2S)-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983162
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
2-(2-chlorophenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405558

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 43221477) is N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Clc1ccccc1CNC1CCc2ccccc2C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is CIKYJARXOAWEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c18-17-8-4-3-7-15(17)12-19-16-10-9-13-5-1-2-6-14(13)11-16/h1-8,16,19H,9-12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 271.79 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 43221477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).