(1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine

C17H27NO — CID 78999241

IUPAC(1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OC1CC(C)CC(C)C1
InChIInChI=1S/C17H27NO/c1-4-16(18)15-7-5-6-8-17(15)19-14-10-12(2)9-13(3)11-14/h5-8,12-14,16H,4,9-11,18H2,1-3H3/t12?,13?,14?,16-/m0/s1
InChIKeyFADLFTPMRAXKQZ-OXCCAUKLSA-N
MW261.41 g/mol
LogP4.30
Rot. Bonds4

About (1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine

(1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine (PubChem CID 78999241) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
PubChem CID78999241
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OC1CC(C)CC(C)C1
InChIInChI=1S/C17H27NO/c1-4-16(18)15-7-5-6-8-17(15)19-14-10-12(2)9-13(3)11-14/h5-8,12-14,16H,4,9-11,18H2,1-3H3/t12?,13?,14?,16-/m0/s1
InChIKeyFADLFTPMRAXKQZ-OXCCAUKLSA-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

1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 114341276
1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 64735115
(1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol
CID 78999226
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 64737465
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
CID 79899561
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358770
1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine
CID 114621071
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine (CID 78999241) is (1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine is CC[C@H](N)c1ccccc1OC1CC(C)CC(C)C1.
What is the InChIKey of (1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
The InChIKey is FADLFTPMRAXKQZ-OXCCAUKLSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-16(18)15-7-5-6-8-17(15)19-14-10-12(2)9-13(3)11-14/h5-8,12-14,16H,4,9-11,18H2,1-3H3/t12?,13?,14?,16-/m0/s1.
What are the key properties of (1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
(1S)-1-[2-(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 (1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine is sourced from PubChem (CID 78999241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).