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

C14H13BrIN — CID 65476357

IUPACN-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine
SMILESBrc1ccccc1CNCc1ccc(I)cc1
InChIInChI=1S/C14H13BrIN/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(16)8-6-11/h1-8,17H,9-10H2
InChIKeyCDHDBYQLLHYEFR-UHFFFAOYSA-N
MW402.07 g/mol
LogP4.34
Rot. Bonds4

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

N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine (PubChem CID 65476357) has the molecular formula C14H13BrIN and a molecular weight of 402.07 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine
PubChem CID65476357
Molecular FormulaC14H13BrIN
Molecular Weight402.07 g/mol
Exact Mass400.93
IUPAC NameN-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine
SMILESBrc1ccccc1CNCc1ccc(I)cc1
InChIInChI=1S/C14H13BrIN/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(16)8-6-11/h1-8,17H,9-10H2
InChIKeyCDHDBYQLLHYEFR-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.07
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)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-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61401469
2-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]acetic acid
CID 103244811
4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28679649
N-[(2-bromophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61402147
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 60701425
1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690069
1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758358
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)-N-methylpropan-1-amine
CID 65490315
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
CID 66040471
1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 10782345
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(2-bromophenyl)methanamine
CID 61402039
N-[(2-bromophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 61401551

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine (CID 65476357) is N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine is Brc1ccccc1CNCc1ccc(I)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine?
The InChIKey is CDHDBYQLLHYEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrIN/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(16)8-6-11/h1-8,17H,9-10H2.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine?
N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine has a molecular weight of 402.07 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine is sourced from PubChem (CID 65476357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).