[3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine

C14H20ClNO — CID 102663600

IUPAC[3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine
SMILESNCc1ccc(COCC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c15-14-7-12(8-16)5-6-13(14)10-17-9-11-3-1-2-4-11/h5-7,11H,1-4,8-10,16H2
InChIKeyJSZNYIORYSNQQT-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.51
Rot. Bonds5

About [3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine

[3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine (PubChem CID 102663600) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine
PubChem CID102663600
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine
SMILESNCc1ccc(COCC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c15-14-7-12(8-16)5-6-13(14)10-17-9-11-3-1-2-4-11/h5-7,11H,1-4,8-10,16H2
InChIKeyJSZNYIORYSNQQT-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine
CID 114479387
[3-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 66324298
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-3-chlorophenyl]methanamine
CID 102663487
3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 102667617
[3-chloro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 102663509
[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine
CID 102663616
2-chloro-5-(cyclopropylmethoxymethyl)aniline
CID 43349982
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
[4-(cyclohexylmethoxymethyl)-2-pyridinyl]methanamine
CID 63882665
[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 102663486
1-chloro-2-(cyclopentylmethoxymethyl)-4-nitrobenzene
CID 66321968
[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662919

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine (CID 102663600) is [3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine is NCc1ccc(COCC2CCCC2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine?
The InChIKey is JSZNYIORYSNQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-14-7-12(8-16)5-6-13(14)10-17-9-11-3-1-2-4-11/h5-7,11H,1-4,8-10,16H2.
What are the key properties of [3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine?
[3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine has a molecular weight of 253.77 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 102663600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).