1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine

C14H20ClNO — CID 106121121

IUPAC1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine
SMILESCOc1cccc(CNCC2CCC(Cl)C2)c1
InChIInChI=1S/C14H20ClNO/c1-17-14-4-2-3-11(8-14)9-16-10-12-5-6-13(15)7-12/h2-4,8,12-13,16H,5-7,9-10H2,1H3
InChIKeySSYDFGLNGVICRF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.19
Rot. Bonds5

About 1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine

1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine (PubChem CID 106121121) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine
PubChem CID106121121
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine
SMILESCOc1cccc(CNCC2CCC(Cl)C2)c1
InChIInChI=1S/C14H20ClNO/c1-17-14-4-2-3-11(8-14)9-16-10-12-5-6-13(15)7-12/h2-4,8,12-13,16H,5-7,9-10H2,1H3
InChIKeySSYDFGLNGVICRF-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 106121365
1-chloro-3-[(3-methoxyphenyl)methyl]cycloheptane
CID 64509318
1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 106120912
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 103270675
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyphenyl)methyl]methanamine
CID 62064582
1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine
CID 24715482

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine (CID 106121121) is 1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine is COc1cccc(CNCC2CCC(Cl)C2)c1.
What is the InChIKey of 1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine?
The InChIKey is SSYDFGLNGVICRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-17-14-4-2-3-11(8-14)9-16-10-12-5-6-13(15)7-12/h2-4,8,12-13,16H,5-7,9-10H2,1H3.
What are the key properties of 1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine?
1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine has a molecular weight of 253.77 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 106121121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).