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

C18H29NO — CID 61064502

IUPAC1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(OC)c1)CC1CCCCC1
InChIInChI=1S/C18H29NO/c1-3-19-17(12-15-8-5-4-6-9-15)13-16-10-7-11-18(14-16)20-2/h7,10-11,14-15,17,19H,3-6,8-9,12-13H2,1-2H3
InChIKeyNXJCWQVGHNTEQU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.19
Rot. Bonds7

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

1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine (PubChem CID 61064502) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
PubChem CID61064502
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(OC)c1)CC1CCCCC1
InChIInChI=1S/C18H29NO/c1-3-19-17(12-15-8-5-4-6-9-15)13-16-10-7-11-18(14-16)20-2/h7,10-11,14-15,17,19H,3-6,8-9,12-13H2,1-2H3
InChIKeyNXJCWQVGHNTEQU-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316
[2-bromo-3-(3-methoxyphenyl)propyl]cycloheptane
CID 114458981
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 115817876
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
CID 70565355
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine
CID 103149560

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine (CID 61064502) is 1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine is CCNC(Cc1cccc(OC)c1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
The InChIKey is NXJCWQVGHNTEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-19-17(12-15-8-5-4-6-9-15)13-16-10-7-11-18(14-16)20-2/h7,10-11,14-15,17,19H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 61064502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).