(E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine

C12H15Cl2N — CID 106437607

IUPAC(E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC/C(=C\Cl)CNC(C)c1ccccc1Cl
InChIInChI=1S/C12H15Cl2N/c1-9(7-13)8-15-10(2)11-5-3-4-6-12(11)14/h3-7,10,15H,8H2,1-2H3/b9-7+
InChIKeyPZGJGPYAEOVPMO-VQHVLOKHSA-N
MW244.17 g/mol
LogP4.13
Rot. Bonds4

About (E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine

(E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 106437607) has the molecular formula C12H15Cl2N and a molecular weight of 244.17 g/mol. Its IUPAC name is (E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID106437607
Molecular FormulaC12H15Cl2N
Molecular Weight244.17 g/mol
Exact Mass243.06
IUPAC Name(E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC/C(=C\Cl)CNC(C)c1ccccc1Cl
InChIInChI=1S/C12H15Cl2N/c1-9(7-13)8-15-10(2)11-5-3-4-6-12(11)14/h3-7,10,15H,8H2,1-2H3/b9-7+
InChIKeyPZGJGPYAEOVPMO-VQHVLOKHSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-chloro-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437948
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chloro-2-methylprop-2-en-1-amine
CID 106437951
2-chloro-N-[1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
CID 60694536
2-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
CID 81379340
N-[1-(2-chlorophenyl)ethyl]-3-methylbut-2-en-1-amine
CID 103605352
2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
CID 81378524
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]prop-2-enoic acid
CID 103260158
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine (CID 106437607) is (E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine is C/C(=C\Cl)CNC(C)c1ccccc1Cl.
What is the InChIKey of (E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is PZGJGPYAEOVPMO-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-9(7-13)8-15-10(2)11-5-3-4-6-12(11)14/h3-7,10,15H,8H2,1-2H3/b9-7+.
What are the key properties of (E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine?
(E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 244.17 g/mol, XLogP of 4.13, 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-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106437607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).