1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine

C16H25NO — CID 62716713

IUPAC1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine
SMILESCNC(COc1ccccc1)CC1CCCCC1
InChIInChI=1S/C16H25NO/c1-17-15(12-14-8-4-2-5-9-14)13-18-16-10-6-3-7-11-16/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12-13H2,1H3
InChIKeyDFVWQCAJCZQCAM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.62
Rot. Bonds6

About 1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine

1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine (PubChem CID 62716713) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine
PubChem CID62716713
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine
SMILESCNC(COc1ccccc1)CC1CCCCC1
InChIInChI=1S/C16H25NO/c1-17-15(12-14-8-4-2-5-9-14)13-18-16-10-6-3-7-11-16/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12-13H2,1H3
InChIKeyDFVWQCAJCZQCAM-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-methyl-4-phenoxybutan-2-amine
CID 62608476
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
CID 63414368
2-(2-cyclohexylethoxy)propoxybenzene
CID 71174964
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236
1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032
cyclohexylmethoxybenzene
CID 14399287
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114458171
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
1-cyclohexyl-N-methylbutan-2-amine
CID 62601734
[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
CID 105309951

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine?
The IUPAC name of 1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine (CID 62716713) is 1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine is CNC(COc1ccccc1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine?
The InChIKey is DFVWQCAJCZQCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-17-15(12-14-8-4-2-5-9-14)13-18-16-10-6-3-7-11-16/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12-13H2,1H3.
What are the key properties of 1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine?
1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine is sourced from PubChem (CID 62716713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).