3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine

C16H16ClNO — CID 54040736

IUPAC3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine
SMILESCC(=CCN)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12(10-11-18)13-6-8-14(9-7-13)19-16-5-3-2-4-15(16)17/h2-10H,11,18H2,1H3
InChIKeyLMDISHICKAMVCG-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.49
Rot. Bonds4

About 3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine

3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine (PubChem CID 54040736) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine.

Molecular Properties

Compound Name3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine
PubChem CID54040736
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine
SMILESCC(=CCN)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12(10-11-18)13-6-8-14(9-7-13)19-16-5-3-2-4-15(16)17/h2-10H,11,18H2,1H3
InChIKeyLMDISHICKAMVCG-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(2-chlorophenoxy)phenyl]but-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-(4-phenoxyphenyl)but-2-en-1-amine
CID 54192751
1-[3-[4-(2-chlorophenoxy)phenyl]but-2-enyl]piperidine
CID 54361762
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
2-[4-(2-chlorophenoxy)phenyl]ethanamine
CID 20993672
1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperidine
CID 54423358
azane;1-chloro-2-phenoxybenzene
CID 68980819
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
1-chloro-2-(4-methylsulfanylphenoxy)benzene
CID 141024023
N-[2-[4-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62946547
2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
CID 11558602
3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol
CID 54201051
N-[3-[4-(2-bromophenoxy)phenyl]but-2-enyl]acetamide
CID 54549729

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine?
The IUPAC name of 3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine (CID 54040736) is 3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine.
What is the SMILES notation for 3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine?
The canonical SMILES for 3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine is CC(=CCN)c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine?
The InChIKey is LMDISHICKAMVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(10-11-18)13-6-8-14(9-7-13)19-16-5-3-2-4-15(16)17/h2-10H,11,18H2,1H3.
What are the key properties of 3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine?
3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine has a molecular weight of 273.76 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine is sourced from PubChem (CID 54040736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).