N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine

C17H26ClN — CID 81027285

IUPACN-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C17H26ClN/c1-17(2,3)19-12-15-9-6-8-13(15)11-14-7-4-5-10-16(14)18/h4-5,7,10,13,15,19H,6,8-9,11-12H2,1-3H3
InChIKeySBTRGBMSAVUWNY-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.69
Rot. Bonds4

About N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine

N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine (PubChem CID 81027285) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
PubChem CID81027285
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC NameN-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C17H26ClN/c1-17(2,3)19-12-15-9-6-8-13(15)11-14-7-4-5-10-16(14)18/h4-5,7,10,13,15,19H,6,8-9,11-12H2,1-3H3
InChIKeySBTRGBMSAVUWNY-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035080
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303
N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81032970
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023958
2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81028492
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027861
1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102864464
N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
CID 82933669
2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81028338
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 104813864

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine (CID 81027285) is N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCC1Cc1ccccc1Cl.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SBTRGBMSAVUWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-17(2,3)19-12-15-9-6-8-13(15)11-14-7-4-5-10-16(14)18/h4-5,7,10,13,15,19H,6,8-9,11-12H2,1-3H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.85 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81027285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).