[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine

C14H20ClNO — CID 43141776

IUPAC[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1OCC1CCCCC1
InChIInChI=1S/C14H20ClNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10,16H2
InChIKeyYXVNYAWQWJRFAD-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.76
Rot. Bonds4

About [5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine

[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine (PubChem CID 43141776) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
PubChem CID43141776
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1OCC1CCCCC1
InChIInChI=1S/C14H20ClNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10,16H2
InChIKeyYXVNYAWQWJRFAD-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-chloro-2-(cyclohexylmethoxy)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

[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
CID 61344976
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
3-[5-chloro-2-(cyclobutylmethoxy)phenyl]propanal
CID 117384880
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117356424
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
ethyl 6-[[5-chloro-2-(cyclohexylmethoxy)phenyl]methyl]pyridine-2-carboxylate
CID 59384274
1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol
CID 65208696
[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
CID 117475696
[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
CID 107532694
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
CID 107698926

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine (CID 43141776) is [5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine is NCc1cc(Cl)ccc1OCC1CCCCC1.
What is the InChIKey of [5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine?
The InChIKey is YXVNYAWQWJRFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10,16H2.
What are the key properties of [5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine?
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine has a molecular weight of 253.77 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine is sourced from PubChem (CID 43141776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).