(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine

C15H22ClNO — CID 78999288

IUPAC(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCC(Oc2ccc(Cl)cc2[C@H](C)N)CC1
InChIInChI=1S/C15H22ClNO/c1-10-3-6-13(7-4-10)18-15-8-5-12(16)9-14(15)11(2)17/h5,8-11,13H,3-4,6-7,17H2,1-2H3/t10?,11-,13?/m0/s1
InChIKeyWZPZFKVPZASGDG-AKJDGMEZSA-N
MW267.80 g/mol
LogP4.32
Rot. Bonds3

About (1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine

(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 78999288) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
PubChem CID78999288
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCC(Oc2ccc(Cl)cc2[C@H](C)N)CC1
InChIInChI=1S/C15H22ClNO/c1-10-3-6-13(7-4-10)18-15-8-5-12(16)9-14(15)11(2)17/h5,8-11,13H,3-4,6-7,17H2,1-2H3/t10?,11-,13?/m0/s1
InChIKeyWZPZFKVPZASGDG-AKJDGMEZSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 78999225
5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
CID 114619765
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
CID 55138471
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine (CID 78999288) is (1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine is CC1CCC(Oc2ccc(Cl)cc2[C@H](C)N)CC1.
What is the InChIKey of (1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is WZPZFKVPZASGDG-AKJDGMEZSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-3-6-13(7-4-10)18-15-8-5-12(16)9-14(15)11(2)17/h5,8-11,13H,3-4,6-7,17H2,1-2H3/t10?,11-,13?/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine?
(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 267.80 g/mol, XLogP of 4.32, 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-(4-methylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 78999288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).