1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine

C17H27NO — CID 64729294

IUPAC1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine
SMILESCC1CC(C)CC(C(N)CCOc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-13-10-14(2)12-15(11-13)17(18)8-9-19-16-6-4-3-5-7-16/h3-7,13-15,17H,8-12,18H2,1-2H3
InChIKeyCKLJONZNFLDUOH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds5

About 1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine

1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine (PubChem CID 64729294) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine
PubChem CID64729294
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine
SMILESCC1CC(C)CC(C(N)CCOc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-13-10-14(2)12-15(11-13)17(18)8-9-19-16-6-4-3-5-7-16/h3-7,13-15,17H,8-12,18H2,1-2H3
InChIKeyCKLJONZNFLDUOH-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine
CID 112501445
(2S)-4-phenoxybutane-1,2-diamine
CID 131851229
1-(3-methylcyclohexyl)-4-phenoxybutan-1-ol
CID 55155150
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-phenoxybutan-1-one
CID 27473703
2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 112569843
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
1,5-diphenoxypentan-3-ol
CID 5314309
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
propan-2-yl 2-methyl-4-phenoxybutanoate
CID 174931468
3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
CID 23150265
1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
CID 62608476
5-methyl-1-phenoxyoctan-3-amine
CID 55095717

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine (CID 64729294) is 1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine is CC1CC(C)CC(C(N)CCOc2ccccc2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine?
The InChIKey is CKLJONZNFLDUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-10-14(2)12-15(11-13)17(18)8-9-19-16-6-4-3-5-7-16/h3-7,13-15,17H,8-12,18H2,1-2H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine?
1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 64729294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).