1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine

C17H27NO — CID 64737465

IUPAC1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
SMILESCCC(N)c1ccc(OC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-4-17(18)14-5-7-15(8-6-14)19-16-10-12(2)9-13(3)11-16/h5-8,12-13,16-17H,4,9-11,18H2,1-3H3
InChIKeySILXIUQHOGFIDH-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.30
Rot. Bonds4

About 1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine

1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine (PubChem CID 64737465) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
PubChem CID64737465
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
SMILESCCC(N)c1ccc(OC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-4-17(18)14-5-7-15(8-6-14)19-16-10-12(2)9-13(3)11-16/h5-8,12-13,16-17H,4,9-11,18H2,1-3H3
InChIKeySILXIUQHOGFIDH-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999289
(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol
CID 64736309
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64734743
(1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999241
1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114065989
1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
CID 64736506
1-(chloromethyl)-4-(3,5-dimethylcyclohexyl)oxybenzene
CID 64737672
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
[5-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methanamine
CID 79788126
1-(4-propoxyphenyl)propan-1-amine
CID 16783118

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
The IUPAC name of 1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine (CID 64737465) is 1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
The canonical SMILES for 1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine is CCC(N)c1ccc(OC2CC(C)CC(C)C2)cc1.
What is the InChIKey of 1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
The InChIKey is SILXIUQHOGFIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-17(18)14-5-7-15(8-6-14)19-16-10-12(2)9-13(3)11-16/h5-8,12-13,16-17H,4,9-11,18H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine is sourced from PubChem (CID 64737465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).