1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine

C17H27NO — CID 61063977

IUPAC1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(OC)c1)CC1CCCC1
InChIInChI=1S/C17H27NO/c1-3-18-16(11-14-7-4-5-8-14)12-15-9-6-10-17(13-15)19-2/h6,9-10,13-14,16,18H,3-5,7-8,11-12H2,1-2H3
InChIKeyBSXBTTLMOMCKDJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.80
Rot. Bonds7

About 1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine

1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine (PubChem CID 61063977) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
PubChem CID61063977
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(OC)c1)CC1CCCC1
InChIInChI=1S/C17H27NO/c1-3-18-16(11-14-7-4-5-8-14)12-15-9-6-10-17(13-15)19-2/h6,9-10,13-14,16,18H,3-5,7-8,11-12H2,1-2H3
InChIKeyBSXBTTLMOMCKDJ-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 115817876
[2-bromo-3-(3-methoxyphenyl)propyl]cycloheptane
CID 114458981
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
CID 70565355
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine
CID 103149560
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine
CID 103031663

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine (CID 61063977) is 1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine is CCNC(Cc1cccc(OC)c1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
The InChIKey is BSXBTTLMOMCKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-18-16(11-14-7-4-5-8-14)12-15-9-6-10-17(13-15)19-2/h6,9-10,13-14,16,18H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 61063977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).