(E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine

C14H18ClNO2 — CID 117423212

IUPAC(E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
SMILESCOc1cc(Cl)cc(/C=C/CN)c1OC1CCC1
InChIInChI=1S/C14H18ClNO2/c1-17-13-9-11(15)8-10(4-3-7-16)14(13)18-12-5-2-6-12/h3-4,8-9,12H,2,5-7,16H2,1H3/b4-3+
InChIKeyKFJFGZWJJSSRGQ-ONEGZZNKSA-N
MW267.76 g/mol
LogP3.25
Rot. Bonds5

About (E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine

(E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine (PubChem CID 117423212) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
PubChem CID117423212
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
SMILESCOc1cc(Cl)cc(/C=C/CN)c1OC1CCC1
InChIInChI=1S/C14H18ClNO2/c1-17-13-9-11(15)8-10(4-3-7-16)14(13)18-12-5-2-6-12/h3-4,8-9,12H,2,5-7,16H2,1H3/b4-3+
InChIKeyKFJFGZWJJSSRGQ-ONEGZZNKSA-N
XLogP3.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117338371
(E)-3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 117392435
5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde
CID 104665311
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
CID 117432330
5-chloro-2-(3,5-dimethylcyclohexyl)oxy-3-methoxybenzaldehyde
CID 104665549
[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117476564
(E)-3-[3-methoxy-2-(thietan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117381934
[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
CID 104664075
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494437
(E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine
CID 117382839

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine (CID 117423212) is (E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine is COc1cc(Cl)cc(/C=C/CN)c1OC1CCC1.
What is the InChIKey of (E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is KFJFGZWJJSSRGQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-17-13-9-11(15)8-10(4-3-7-16)14(13)18-12-5-2-6-12/h3-4,8-9,12H,2,5-7,16H2,1H3/b4-3+.
What are the key properties of (E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine?
(E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 267.76 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117423212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).