(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine

C16H24ClNO — CID 78999225

IUPAC(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CC(C)CC(Oc2ccc(Cl)cc2[C@H](C)N)C1
InChIInChI=1S/C16H24ClNO/c1-10-6-11(2)8-14(7-10)19-16-5-4-13(17)9-15(16)12(3)18/h4-5,9-12,14H,6-8,18H2,1-3H3/t10?,11?,12-,14?/m0/s1
InChIKeyCDPJAWVQSBAHTL-VPTICVGPSA-N
MW281.83 g/mol
LogP4.56
Rot. Bonds3

About (1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine

(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 78999225) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID78999225
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CC(C)CC(Oc2ccc(Cl)cc2[C@H](C)N)C1
InChIInChI=1S/C16H24ClNO/c1-10-6-11(2)8-14(7-10)19-16-5-4-13(17)9-15(16)12(3)18/h4-5,9-12,14H,6-8,18H2,1-3H3/t10?,11?,12-,14?/m0/s1
InChIKeyCDPJAWVQSBAHTL-VPTICVGPSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 78999288
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine
CID 64729201
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1-[3-bromo-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64728805
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
CID 114619765
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 107693086
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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine (CID 78999225) is (1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine is CC1CC(C)CC(Oc2ccc(Cl)cc2[C@H](C)N)C1.
What is the InChIKey of (1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is CDPJAWVQSBAHTL-VPTICVGPSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-10-6-11(2)8-14(7-10)19-16-5-4-13(17)9-15(16)12(3)18/h4-5,9-12,14H,6-8,18H2,1-3H3/t10?,11?,12-,14?/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine?
(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 78999225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).