(E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine

C10H11Cl2N — CID 107899645

IUPAC(E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine
SMILESCl/C=C/CNCc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2N/c11-6-1-7-13-8-9-2-4-10(12)5-3-9/h1-6,13H,7-8H2/b6-1+
InChIKeyIJZVCJAEEFXNAL-LZCJLJQNSA-N
MW216.11 g/mol
LogP3.18
Rot. Bonds4

About (E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine

(E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine (PubChem CID 107899645) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is (E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine
PubChem CID107899645
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name(E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine
SMILESCl/C=C/CNCc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2N/c11-6-1-7-13-8-9-2-4-10(12)5-3-9/h1-6,13H,7-8H2/b6-1+
InChIKeyIJZVCJAEEFXNAL-LZCJLJQNSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-[(4-chlorophenyl)methylamino]but-2-enoate
CID 80546546
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
(E)-3-chloro-N-(furan-3-ylmethyl)prop-2-en-1-amine
CID 107900370
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
(E)-4-chloro-N-[(4-ethylphenyl)methyl]but-2-en-1-amine
CID 106899632
N-[(4-chlorophenyl)methyl]thiohydroxylamine
CID 142862441
1,2-bis[(4-chlorophenyl)methyl]hydrazine;dihydrochloride
CID 20519808
N-[(4-chlorophenyl)methyl]methanethioamide
CID 58279664
N-[(4-chlorophenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204388
1-(4-chlorophenyl)-N-oxidomethanamine
CID 162516250
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
N-[(4-chlorophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437532

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine (CID 107899645) is (E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine is Cl/C=C/CNCc1ccc(Cl)cc1.
What is the InChIKey of (E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine?
The InChIKey is IJZVCJAEEFXNAL-LZCJLJQNSA-N. The full InChI is InChI=1S/C10H11Cl2N/c11-6-1-7-13-8-9-2-4-10(12)5-3-9/h1-6,13H,7-8H2/b6-1+.
What are the key properties of (E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine?
(E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine has a molecular weight of 216.11 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-[(4-chlorophenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 107899645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).