1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine

C14H20ClNO2 — CID 117427939

IUPAC1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(Cl)c(OC)c(C2CCCC2)c1
InChIInChI=1S/C14H20ClNO2/c1-17-14-12(11-5-3-4-6-11)7-10(8-13(14)15)9-16-18-2/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyLVSUJRNMCISNEK-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.66
Rot. Bonds5

About 1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine

1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine (PubChem CID 117427939) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine
PubChem CID117427939
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine
SMILESCONCc1cc(Cl)c(OC)c(C2CCCC2)c1
InChIInChI=1S/C14H20ClNO2/c1-17-14-12(11-5-3-4-6-11)7-10(8-13(14)15)9-16-18-2/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyLVSUJRNMCISNEK-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine
CID 117302343
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine
CID 117492816
2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol
CID 117425608
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
1-(3-bromo-4-cyclohexylphenyl)-N-methoxymethanamine
CID 117480345
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
1,3,5-tricyclohexyl-2-methoxybenzene
CID 123898644
3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one
CID 117452638
1-(3-chloro-4-ethyl-5-methoxyphenyl)-N-methoxymethanamine
CID 117331660
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458136

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine (CID 117427939) is 1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine is CONCc1cc(Cl)c(OC)c(C2CCCC2)c1.
What is the InChIKey of 1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine?
The InChIKey is LVSUJRNMCISNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-17-14-12(11-5-3-4-6-11)7-10(8-13(14)15)9-16-18-2/h7-8,11,16H,3-6,9H2,1-2H3.
What are the key properties of 1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine?
1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine has a molecular weight of 269.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117427939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).