(E)-4-(2-chlorophenyl)but-2-en-1-amine

C10H12ClN — CID 105439817

IUPAC(E)-4-(2-chlorophenyl)but-2-en-1-amine
SMILESNC/C=C/Cc1ccccc1Cl
InChIInChI=1S/C10H12ClN/c11-10-7-2-1-5-9(10)6-3-4-8-12/h1-5,7H,6,8,12H2/b4-3+
InChIKeyMMKFUURDQNLFBJ-ONEGZZNKSA-N
MW181.67 g/mol
LogP2.40
Rot. Bonds3

About (E)-4-(2-chlorophenyl)but-2-en-1-amine

(E)-4-(2-chlorophenyl)but-2-en-1-amine (PubChem CID 105439817) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (E)-4-(2-chlorophenyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2-chlorophenyl)but-2-en-1-amine
PubChem CID105439817
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(E)-4-(2-chlorophenyl)but-2-en-1-amine
SMILESNC/C=C/Cc1ccccc1Cl
InChIInChI=1S/C10H12ClN/c11-10-7-2-1-5-9(10)6-3-4-8-12/h1-5,7H,6,8,12H2/b4-3+
InChIKeyMMKFUURDQNLFBJ-ONEGZZNKSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chlorophenyl)pent-3-en-1-ol
CID 123893185
(Z)-5-(2-chlorophenyl)pent-3-enoic acid
CID 117267940
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
(2-chlorophenyl)methyl (E)-4-aminobut-2-enoate
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2-(2-chlorophenyl)-N-methylethanimine
CID 143112738
(E)-5-(3-chloro-2-fluorophenyl)pent-3-en-1-amine
CID 102864119
N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
CID 62922224
(E)-4-(4-chlorophenyl)but-2-en-1-amine
CID 105439819
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine
CID 66046563
(E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine
CID 117302308
1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene
CID 164676364

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-chlorophenyl)but-2-en-1-amine?
The IUPAC name of (E)-4-(2-chlorophenyl)but-2-en-1-amine (CID 105439817) is (E)-4-(2-chlorophenyl)but-2-en-1-amine.
What is the SMILES notation for (E)-4-(2-chlorophenyl)but-2-en-1-amine?
The canonical SMILES for (E)-4-(2-chlorophenyl)but-2-en-1-amine is NC/C=C/Cc1ccccc1Cl.
What is the InChIKey of (E)-4-(2-chlorophenyl)but-2-en-1-amine?
The InChIKey is MMKFUURDQNLFBJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12ClN/c11-10-7-2-1-5-9(10)6-3-4-8-12/h1-5,7H,6,8,12H2/b4-3+.
What are the key properties of (E)-4-(2-chlorophenyl)but-2-en-1-amine?
(E)-4-(2-chlorophenyl)but-2-en-1-amine has a molecular weight of 181.67 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-chlorophenyl)but-2-en-1-amine is sourced from PubChem (CID 105439817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).