N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

C17H26ClN — CID 81027303

IUPACN-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C17H26ClN/c1-13(2)11-19-12-16-8-5-7-14(16)10-15-6-3-4-9-17(15)18/h3-4,6,9,13-14,16,19H,5,7-8,10-12H2,1-2H3
InChIKeyCTZORYALYPZWRU-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.54
Rot. Bonds6

About N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 81027303) 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-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID81027303
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC NameN-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C17H26ClN/c1-13(2)11-19-12-16-8-5-7-14(16)10-15-6-3-4-9-17(15)18/h3-4,6,9,13-14,16,19H,5,7-8,10-12H2,1-2H3
InChIKeyCTZORYALYPZWRU-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027285
2-methyl-N-[[2-(pyridin-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81028060
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821
N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033962
N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028348
N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027865
N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033027
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
N-[[2-[(5-bromo-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81028553
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (CID 81027303) is N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCC1Cc1ccccc1Cl.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CTZORYALYPZWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-13(2)11-19-12-16-8-5-7-14(16)10-15-6-3-4-9-17(15)18/h3-4,6,9,13-14,16,19H,5,7-8,10-12H2,1-2H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.85 g/mol, XLogP of 4.54, 6 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-1-amine is sourced from PubChem (CID 81027303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).