1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine

C14H18ClNO — CID 114619765

IUPAC1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
SMILESCC(N)c1cc(Cl)ccc1OC1C=CCCC1
InChIInChI=1S/C14H18ClNO/c1-10(16)13-9-11(15)7-8-14(13)17-12-5-3-2-4-6-12/h3,5,7-10,12H,2,4,6,16H2,1H3
InChIKeyZZMWUGFVEFGHAB-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.85
Rot. Bonds3

About 1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine

1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine (PubChem CID 114619765) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
PubChem CID114619765
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
SMILESCC(N)c1cc(Cl)ccc1OC1C=CCCC1
InChIInChI=1S/C14H18ClNO/c1-10(16)13-9-11(15)7-8-14(13)17-12-5-3-2-4-6-12/h3,5,7-10,12H,2,4,6,16H2,1H3
InChIKeyZZMWUGFVEFGHAB-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine
CID 114619767
(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 78999288
(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine
CID 104940189
4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide
CID 114620295
5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride
CID 114619989
5-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 54206426
(1E)-3-(2-propan-2-ylphenoxy)cyclooctene
CID 114228087
(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 78999225
4-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 114619545
1-chloro-4-cyclohex-2-en-1-yloxybenzene
CID 15190705
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine?
The IUPAC name of 1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine (CID 114619765) is 1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine is CC(N)c1cc(Cl)ccc1OC1C=CCCC1.
What is the InChIKey of 1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine?
The InChIKey is ZZMWUGFVEFGHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10(16)13-9-11(15)7-8-14(13)17-12-5-3-2-4-6-12/h3,5,7-10,12H,2,4,6,16H2,1H3.
What are the key properties of 1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine?
1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine has a molecular weight of 251.76 g/mol, XLogP of 3.85, 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-cyclohex-2-en-1-yloxyphenyl)ethanamine is sourced from PubChem (CID 114619765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).