1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine

C14H20ClNO — CID 62072498

IUPAC1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
SMILESCC(N)c1cc(Cl)ccc1OC1CCCCC1
InChIInChI=1S/C14H20ClNO/c1-10(16)13-9-11(15)7-8-14(13)17-12-5-3-2-4-6-12/h7-10,12H,2-6,16H2,1H3
InChIKeyDGBAKUHDNLQYOX-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.07
Rot. Bonds3

About 1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine

1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine (PubChem CID 62072498) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
PubChem CID62072498
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
SMILESCC(N)c1cc(Cl)ccc1OC1CCCCC1
InChIInChI=1S/C14H20ClNO/c1-10(16)13-9-11(15)7-8-14(13)17-12-5-3-2-4-6-12/h7-10,12H,2-6,16H2,1H3
InChIKeyDGBAKUHDNLQYOX-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.07
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-cyclohex-2-en-1-yloxyphenyl)ethanamine
CID 114619765
(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 78999225
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
5-chloro-2-cyclohexyloxybenzenecarbothioamide
CID 62493544
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine?
The IUPAC name of 1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine (CID 62072498) is 1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine is CC(N)c1cc(Cl)ccc1OC1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine?
The InChIKey is DGBAKUHDNLQYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(16)13-9-11(15)7-8-14(13)17-12-5-3-2-4-6-12/h7-10,12H,2-6,16H2,1H3.
What are the key properties of 1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine?
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine has a molecular weight of 253.77 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine is sourced from PubChem (CID 62072498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).