1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine

C17H27NO — CID 107416791

IUPAC1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
SMILESCCOc1ccccc1C(C)NCC1CCCC1C
InChIInChI=1S/C17H27NO/c1-4-19-17-11-6-5-10-16(17)14(3)18-12-15-9-7-8-13(15)2/h5-6,10-11,13-15,18H,4,7-9,12H2,1-3H3
InChIKeyNFKXPWWIXOEJSR-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine

1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107416791) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107416791
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
SMILESCCOc1ccccc1C(C)NCC1CCCC1C
InChIInChI=1S/C17H27NO/c1-4-19-17-11-6-5-10-16(17)14(3)18-12-15-9-7-8-13(15)2/h5-6,10-11,13-15,18H,4,7-9,12H2,1-3H3
InChIKeyNFKXPWWIXOEJSR-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylcyclopentyl)methyl]-1-phenylethanamine
CID 107417351
N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
CID 54932052
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188648
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115890665
5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
CID 107417292
1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 63453969
N-(cyclohexylmethyl)-1-(2-heptoxyphenyl)ethanamine
CID 54804382
1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575182
(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81397121
1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417019
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54804997

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine (CID 107416791) is 1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine is CCOc1ccccc1C(C)NCC1CCCC1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is NFKXPWWIXOEJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-19-17-11-6-5-10-16(17)14(3)18-12-15-9-7-8-13(15)2/h5-6,10-11,13-15,18H,4,7-9,12H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107416791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).