3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine

C16H15BrN2 — CID 174087166

IUPAC3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine
SMILESNC(=C/C=N/Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2/c17-15-8-4-7-14(11-15)16(18)9-10-19-12-13-5-2-1-3-6-13/h1-11H,12,18H2/b16-9?,19-10+
InChIKeyLKVURDODIHKDFH-AKTOJZKBSA-N
MW315.21 g/mol
LogP4.02
Rot. Bonds4

About 3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine

3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine (PubChem CID 174087166) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine
PubChem CID174087166
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine
SMILESNC(=C/C=N/Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2/c17-15-8-4-7-14(11-15)16(18)9-10-19-12-13-5-2-1-3-6-13/h1-11H,12,18H2/b16-9?,19-10+
InChIKeyLKVURDODIHKDFH-AKTOJZKBSA-N
XLogP4.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide
CID 174087173
N'-(benzyliminomethyl)benzenecarboximidamide
CID 118508894
N-benzyl-3-methylsulfanyl-3-phenylprop-2-en-1-imine
CID 71409068
N'-benzyl-N-benzylidene-3-bromobenzenecarboximidamide
CID 126728066
(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine
CID 143099574
1-bromo-3-(3-phenylprop-1-en-2-yl)benzene
CID 174355940
(Z)-2-(3-bromophenyl)-5-phenylpent-2-en-1-ol
CID 19920654
N'-amino-3-bromobenzenecarboximidamide
CID 83534045
N'-[(3-bromophenyl)methyl]propanimidamide
CID 63177432
N'-benzyl-3-phenylbenzenecarboximidamide
CID 142527130
3-bromo-N-(2-phenylethylideneamino)benzamide
CID 4684181
(E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine
CID 43835164

Frequently Asked Questions

What is the IUPAC name of 3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine?
The IUPAC name of 3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine (CID 174087166) is 3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine.
What is the SMILES notation for 3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine?
The canonical SMILES for 3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine is NC(=C/C=N/Cc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine?
The InChIKey is LKVURDODIHKDFH-AKTOJZKBSA-N. The full InChI is InChI=1S/C16H15BrN2/c17-15-8-4-7-14(11-15)16(18)9-10-19-12-13-5-2-1-3-6-13/h1-11H,12,18H2/b16-9?,19-10+.
What are the key properties of 3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine?
3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine has a molecular weight of 315.21 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine is sourced from PubChem (CID 174087166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).