(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine

C15H23NO — CID 78937930

IUPAC(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCCC(Oc2ccccc2[C@H](C)N)C1
InChIInChI=1S/C15H23NO/c1-11-6-5-7-13(10-11)17-15-9-4-3-8-14(15)12(2)16/h3-4,8-9,11-13H,5-7,10,16H2,1-2H3/t11?,12-,13?/m0/s1
InChIKeyLEJHDKGNLOAJBZ-CPCZMJQVSA-N
MW233.36 g/mol
LogP3.66
Rot. Bonds3

About (1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine

(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 78937930) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
PubChem CID78937930
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCCC(Oc2ccccc2[C@H](C)N)C1
InChIInChI=1S/C15H23NO/c1-11-6-5-7-13(10-11)17-15-9-4-3-8-14(15)12(2)16/h3-4,8-9,11-13H,5-7,10,16H2,1-2H3/t11?,12-,13?/m0/s1
InChIKeyLEJHDKGNLOAJBZ-CPCZMJQVSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64744791
1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61288976
(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78999303
1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 83484227
2-[2-[(1S)-1-aminoethyl]phenoxy]cyclopentan-1-ol
CID 78936328
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454
1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
CID 64764405
2-[2-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107713283
1-[3-bromo-4-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 62911219
1-(2-cyclohexyloxyphenyl)-N-methylethanamine
CID 43279544
5-(3-methylcyclohexyl)oxynaphthalen-1-amine
CID 82037851
(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958662

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine (CID 78937930) is (1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine is CC1CCCC(Oc2ccccc2[C@H](C)N)C1.
What is the InChIKey of (1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is LEJHDKGNLOAJBZ-CPCZMJQVSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-5-7-13(10-11)17-15-9-4-3-8-14(15)12(2)16/h3-4,8-9,11-13H,5-7,10,16H2,1-2H3/t11?,12-,13?/m0/s1.
What are the key properties of (1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine?
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 78937930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).