1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine

C23H21Br2N — CID 146208765

IUPAC1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine
SMILESC=Cc1ccccc1CN(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C23H21Br2N/c1-2-20-5-3-4-6-21(20)17-26(15-18-7-11-22(24)12-8-18)16-19-9-13-23(25)14-10-19/h2-14H,1,15-17H2
InChIKeyJFQJKHSZLMMYSU-UHFFFAOYSA-N
MW471.24 g/mol
LogP7.06
Rot. Bonds7

About 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine

1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine (PubChem CID 146208765) has the molecular formula C23H21Br2N and a molecular weight of 471.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine
PubChem CID146208765
Molecular FormulaC23H21Br2N
Molecular Weight471.24 g/mol
Exact Mass469.00
IUPAC Name1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine
SMILESC=Cc1ccccc1CN(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C23H21Br2N/c1-2-20-5-3-4-6-21(20)17-26(15-18-7-11-22(24)12-8-18)16-19-9-13-23(25)14-10-19/h2-14H,1,15-17H2
InChIKeyJFQJKHSZLMMYSU-UHFFFAOYSA-N
XLogP7.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.24
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine
CID 122203539
benzyl-[(2-ethenylphenyl)methyl]carbamic acid
CID 19037167
tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid
CID 67182914
1-ethenyl-2-[2-[(2-ethenylphenyl)methoxy]ethoxymethyl]benzene
CID 86246407
4-[(2-ethenylphenyl)methyl]-N,N-dimethylaniline
CID 130274462
1-chloro-4-[(2-ethenylphenyl)methyl]benzene
CID 21218414
1-(7-bromoheptyl)-2-ethenylbenzene
CID 22468213
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
(Z)-4-amino-5-(4-bromophenyl)-1-(dibenzylamino)pent-3-en-2-one
CID 142823862
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine (CID 146208765) is 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine is C=Cc1ccccc1CN(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine?
The InChIKey is JFQJKHSZLMMYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Br2N/c1-2-20-5-3-4-6-21(20)17-26(15-18-7-11-22(24)12-8-18)16-19-9-13-23(25)14-10-19/h2-14H,1,15-17H2.
What are the key properties of 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine?
1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine has a molecular weight of 471.24 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine is sourced from PubChem (CID 146208765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).