(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine

C14H18ClNO — CID 117382831

IUPAC(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1cc(Cl)cc(OCC2CCC2)c1
InChIInChI=1S/C14H18ClNO/c15-13-7-12(5-2-6-16)8-14(9-13)17-10-11-3-1-4-11/h2,5,7-9,11H,1,3-4,6,10,16H2/b5-2+
InChIKeyQTVYYFVWSXQFLL-GORDUTHDSA-N
MW251.76 g/mol
LogP3.49
Rot. Bonds5

About (E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine

(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine (PubChem CID 117382831) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine
PubChem CID117382831
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1cc(Cl)cc(OCC2CCC2)c1
InChIInChI=1S/C14H18ClNO/c15-13-7-12(5-2-6-16)8-14(9-13)17-10-11-3-1-4-11/h2,5,7-9,11H,1,3-4,6,10,16H2/b5-2+
InChIKeyQTVYYFVWSXQFLL-GORDUTHDSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]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

[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
CID 117492823
1-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117423442
(E)-3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]prop-2-en-1-amine
CID 117418834
1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
CID 138985972
1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
CID 117382912
4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine
CID 117474195
3-[3-chloro-5-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117418768
2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119333514
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
(E)-3-(3-chloro-5-methylsulfonylphenyl)prop-2-en-1-amine
CID 117366846
(E)-3-[4-bromo-3-(cyclopropylmethoxy)phenyl]prop-2-en-1-amine
CID 117453223

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine (CID 117382831) is (E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine is NC/C=C/c1cc(Cl)cc(OCC2CCC2)c1.
What is the InChIKey of (E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine?
The InChIKey is QTVYYFVWSXQFLL-GORDUTHDSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-13-7-12(5-2-6-16)8-14(9-13)17-10-11-3-1-4-11/h2,5,7-9,11H,1,3-4,6,10,16H2/b5-2+.
What are the key properties of (E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine?
(E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine has a molecular weight of 251.76 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-chloro-5-(cyclobutylmethoxy)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117382831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).