N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine

C18H28ClN — CID 82933669

IUPACN-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Cc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C18H28ClN/c1-18(2,3)20-13-16(14-8-4-5-9-14)12-15-10-6-7-11-17(15)19/h6-7,10-11,14,16,20H,4-5,8-9,12-13H2,1-3H3
InChIKeyGLMITCAXCIDZHP-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.08
Rot. Bonds5

About N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine

N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine (PubChem CID 82933669) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
PubChem CID82933669
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Cc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C18H28ClN/c1-18(2,3)20-13-16(14-8-4-5-9-14)12-15-10-6-7-11-17(15)19/h6-7,10-11,14,16,20H,4-5,8-9,12-13H2,1-3H3
InChIKeyGLMITCAXCIDZHP-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 82932886
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497993
[2-(2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105209625
N-tert-butyl-2-[(2-chlorophenyl)methyl]hexan-1-amine
CID 63523387
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027285
N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
CID 115926829
3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569757
N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine
CID 112570119
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 62515455
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
[1-(4-tert-butylcyclohexyl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 105232724

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine (CID 82933669) is N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine is CC(C)(C)NCC(Cc1ccccc1Cl)C1CCCC1.
What is the InChIKey of N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine?
The InChIKey is GLMITCAXCIDZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-18(2,3)20-13-16(14-8-4-5-9-14)12-15-10-6-7-11-17(15)19/h6-7,10-11,14,16,20H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine?
N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine has a molecular weight of 293.88 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82933669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).