N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine

C18H27NO — CID 107191373

IUPACN-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC2CC2)c1)C1CCCC1C
InChIInChI=1S/C18H27NO/c1-3-19-18(17-9-4-6-13(17)2)14-7-5-8-16(12-14)20-15-10-11-15/h5,7-8,12-13,15,17-19H,3-4,6,9-11H2,1-2H3
InChIKeySDRJIORRTCTFLA-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.31
Rot. Bonds6

About N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine

N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107191373) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107191373
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC2CC2)c1)C1CCCC1C
InChIInChI=1S/C18H27NO/c1-3-19-18(17-9-4-6-13(17)2)14-7-5-8-16(12-14)20-15-10-11-15/h5,7-8,12-13,15,17-19H,3-4,6,9-11H2,1-2H3
InChIKeySDRJIORRTCTFLA-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
N-[(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191369
(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methanol
CID 107193013
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 114521545
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 65419758

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine (CID 107191373) is N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine is CCNC(c1cccc(OC2CC2)c1)C1CCCC1C.
What is the InChIKey of N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is SDRJIORRTCTFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-19-18(17-9-4-6-13(17)2)14-7-5-8-16(12-14)20-15-10-11-15/h5,7-8,12-13,15,17-19H,3-4,6,9-11H2,1-2H3.
What are the key properties of N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107191373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).