(E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine

C12H15BrClN — CID 15290085

IUPAC(E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine
SMILESCCN(C/C=C/Cl)Cc1cccc(Br)c1
InChIInChI=1S/C12H15BrClN/c1-2-15(8-4-7-14)10-11-5-3-6-12(13)9-11/h3-7,9H,2,8,10H2,1H3/b7-4+
InChIKeyVDDDDVMNIKUZOX-QPJJXVBHSA-N
MW288.62 g/mol
LogP4.02
Rot. Bonds5

About (E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine

(E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine (PubChem CID 15290085) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is (E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine
PubChem CID15290085
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name(E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine
SMILESCCN(C/C=C/Cl)Cc1cccc(Br)c1
InChIInChI=1S/C12H15BrClN/c1-2-15(8-4-7-14)10-11-5-3-6-12(13)9-11/h3-7,9H,2,8,10H2,1H3/b7-4+
InChIKeyVDDDDVMNIKUZOX-QPJJXVBHSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine?
The IUPAC name of (E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine (CID 15290085) is (E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine is CCN(C/C=C/Cl)Cc1cccc(Br)c1.
What is the InChIKey of (E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine?
The InChIKey is VDDDDVMNIKUZOX-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H15BrClN/c1-2-15(8-4-7-14)10-11-5-3-6-12(13)9-11/h3-7,9H,2,8,10H2,1H3/b7-4+.
What are the key properties of (E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine?
(E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine has a molecular weight of 288.62 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-bromophenyl)methyl]-3-chloro-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 15290085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).