N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine

C18H29NO2 — CID 66324313

IUPACN-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(COCC1CCCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-3-12-19-18(14-21-13-15-6-4-5-7-15)16-8-10-17(20-2)11-9-16/h8-11,15,18-19H,3-7,12-14H2,1-2H3
InChIKeyYHQPVGSOMBTDLQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.94
Rot. Bonds9

About N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine

N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 66324313) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine
PubChem CID66324313
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(COCC1CCCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-3-12-19-18(14-21-13-15-6-4-5-7-15)16-8-10-17(20-2)11-9-16/h8-11,15,18-19H,3-7,12-14H2,1-2H3
InChIKeyYHQPVGSOMBTDLQ-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazolidin-2-one
CID 62491666
N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 106200712
N-(2-cyclohexyloxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 63826934
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine (CID 66324313) is N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine is CCCNC(COCC1CCCC1)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is YHQPVGSOMBTDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-12-19-18(14-21-13-15-6-4-5-7-15)16-8-10-17(20-2)11-9-16/h8-11,15,18-19H,3-7,12-14H2,1-2H3.
What are the key properties of N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 66324313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).