(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine

C16H25NO — CID 64734743

IUPAC(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CC(C)CC(Oc2ccc([C@H](C)N)cc2)C1
InChIInChI=1S/C16H25NO/c1-11-8-12(2)10-16(9-11)18-15-6-4-14(5-7-15)13(3)17/h4-7,11-13,16H,8-10,17H2,1-3H3/t11?,12?,13-,16?/m0/s1
InChIKeyCHJXLXNFMUJQRB-KSISSFPLSA-N
MW247.38 g/mol
LogP3.91
Rot. Bonds3

About (1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine

(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 64734743) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID64734743
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CC(C)CC(Oc2ccc([C@H](C)N)cc2)C1
InChIInChI=1S/C16H25NO/c1-11-8-12(2)10-16(9-11)18-15-6-4-14(5-7-15)13(3)17/h4-7,11-13,16H,8-10,17H2,1-3H3/t11?,12?,13-,16?/m0/s1
InChIKeyCHJXLXNFMUJQRB-KSISSFPLSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine
CID 113369198
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 64737465
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine
CID 64729201
1-[3-bromo-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64728805
(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol
CID 64736309
(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 78958674
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
CID 64736506
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine (CID 64734743) is (1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine is CC1CC(C)CC(Oc2ccc([C@H](C)N)cc2)C1.
What is the InChIKey of (1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is CHJXLXNFMUJQRB-KSISSFPLSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-8-12(2)10-16(9-11)18-15-6-4-14(5-7-15)13(3)17/h4-7,11-13,16H,8-10,17H2,1-3H3/t11?,12?,13-,16?/m0/s1.
What are the key properties of (1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine?
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 64734743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).