2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine

C16H25ClN2 — CID 62610200

IUPAC2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2/c1-3-18-16-6-4-5-14(16)12-19(2)11-13-7-9-15(17)10-8-13/h7-10,14,16,18H,3-6,11-12H2,1-2H3
InChIKeyJFLPAPHXFRESJM-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.55
Rot. Bonds6

About 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine

2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine (PubChem CID 62610200) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine
PubChem CID62610200
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2/c1-3-18-16-6-4-5-14(16)12-19(2)11-13-7-9-15(17)10-8-13/h7-10,14,16,18H,3-6,11-12H2,1-2H3
InChIKeyJFLPAPHXFRESJM-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
CID 62615411
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclopentan-1-amine
CID 62611217
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethylcycloheptan-1-amine
CID 63493297
N-methyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 55093693
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62608952
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63494221
2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine
CID 62614973
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
2-[(2,5-dichlorophenyl)methyl]-N-ethylcyclopentan-1-amine
CID 65318436
N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62615670

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine (CID 62610200) is 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine is CCNC1CCCC1CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine?
The InChIKey is JFLPAPHXFRESJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-18-16-6-4-5-14(16)12-19(2)11-13-7-9-15(17)10-8-13/h7-10,14,16,18H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine?
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 62610200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).