1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine

C14H20ClN — CID 62726411

IUPAC1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C14H20ClN/c1-16-11-14(7-2-3-8-14)10-12-5-4-6-13(15)9-12/h4-6,9,16H,2-3,7-8,10-11H2,1H3
InChIKeyRSAGXBDIUZGXEI-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.66
Rot. Bonds4

About 1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine

1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine (PubChem CID 62726411) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
PubChem CID62726411
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(Cl)c2)CCCC1
InChIInChI=1S/C14H20ClN/c1-16-11-14(7-2-3-8-14)10-12-5-4-6-13(15)9-12/h4-6,9,16H,2-3,7-8,10-11H2,1H3
InChIKeyRSAGXBDIUZGXEI-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
N-methyl-1-[1-[(3-methylphenyl)methyl]cyclopentyl]methanamine
CID 62724183
1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 82128067
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513
1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
CID 63501769
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 63507472
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
3-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylcarbamoylamino]propanoic acid
CID 122017314
1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
CID 62390445
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine (CID 62726411) is 1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine is CNCC1(Cc2cccc(Cl)c2)CCCC1.
What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The InChIKey is RSAGXBDIUZGXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-16-11-14(7-2-3-8-14)10-12-5-4-6-13(15)9-12/h4-6,9,16H,2-3,7-8,10-11H2,1H3.
What are the key properties of 1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine has a molecular weight of 237.77 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 62726411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).