(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine

C13H18ClNO — CID 104610685

IUPAC(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
SMILESCOC1(C(N)c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C13H18ClNO/c1-16-13(7-2-3-8-13)12(15)10-5-4-6-11(14)9-10/h4-6,9,12H,2-3,7-8,15H2,1H3
InChIKeyWSSAUFYYNUIFBR-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.30
Rot. Bonds3

About (3-chlorophenyl)-(1-methoxycyclopentyl)methanamine

(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine (PubChem CID 104610685) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (3-chlorophenyl)-(1-methoxycyclopentyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
PubChem CID104610685
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
SMILESCOC1(C(N)c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C13H18ClNO/c1-16-13(7-2-3-8-13)12(15)10-5-4-6-11(14)9-10/h4-6,9,12H,2-3,7-8,15H2,1H3
InChIKeyWSSAUFYYNUIFBR-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116714051
1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol
CID 121281370
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058711
(2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769975
(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
CID 116769915
[(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 105276690
(1-methoxycyclopentyl)-quinolin-6-ylmethanamine
CID 104610565
(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine
CID 63079140
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 107129160

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1-methoxycyclopentyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(1-methoxycyclopentyl)methanamine (CID 104610685) is (3-chlorophenyl)-(1-methoxycyclopentyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(1-methoxycyclopentyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(1-methoxycyclopentyl)methanamine is COC1(C(N)c2cccc(Cl)c2)CCCC1.
What is the InChIKey of (3-chlorophenyl)-(1-methoxycyclopentyl)methanamine?
The InChIKey is WSSAUFYYNUIFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-13(7-2-3-8-13)12(15)10-5-4-6-11(14)9-10/h4-6,9,12H,2-3,7-8,15H2,1H3.
What are the key properties of (3-chlorophenyl)-(1-methoxycyclopentyl)methanamine?
(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine has a molecular weight of 239.75 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1-methoxycyclopentyl)methanamine is sourced from PubChem (CID 104610685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).