N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine

C19H31NO — CID 65410252

IUPACN-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)C1CCC(CC)C1
InChIInChI=1S/C19H31NO/c1-5-11-20-19(16-8-7-15(6-2)13-16)18-10-9-17(21-4)12-14(18)3/h9-10,12,15-16,19-20H,5-8,11,13H2,1-4H3
InChIKeyGLEBXQJNKAHSIS-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.87
Rot. Bonds7

About N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine

N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine (PubChem CID 65410252) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
PubChem CID65410252
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)C1CCC(CC)C1
InChIInChI=1S/C19H31NO/c1-5-11-20-19(16-8-7-15(6-2)13-16)18-10-9-17(21-4)12-14(18)3/h9-10,12,15-16,19-20H,5-8,11,13H2,1-4H3
InChIKeyGLEBXQJNKAHSIS-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65409670
N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415003
N-[(3-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 82791518
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648
N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81301647
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
N-[(2-methoxy-3,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 103433620
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine (CID 65410252) is N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1C)C1CCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine?
The InChIKey is GLEBXQJNKAHSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-11-20-19(16-8-7-15(6-2)13-16)18-10-9-17(21-4)12-14(18)3/h9-10,12,15-16,19-20H,5-8,11,13H2,1-4H3.
What are the key properties of N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine?
N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 65410252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).