N-(bromomethyl)-1-(4-phenylphenyl)methanamine

C14H14BrN — CID 115261872

IUPACN-(bromomethyl)-1-(4-phenylphenyl)methanamine
SMILESBrCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14BrN/c15-11-16-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,16H,10-11H2
InChIKeyIQVOOOVGDZCWCU-UHFFFAOYSA-N
MW276.18 g/mol
LogP3.80
Rot. Bonds4

About N-(bromomethyl)-1-(4-phenylphenyl)methanamine

N-(bromomethyl)-1-(4-phenylphenyl)methanamine (PubChem CID 115261872) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is N-(bromomethyl)-1-(4-phenylphenyl)methanamine.

Molecular Properties

Compound NameN-(bromomethyl)-1-(4-phenylphenyl)methanamine
PubChem CID115261872
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC NameN-(bromomethyl)-1-(4-phenylphenyl)methanamine
SMILESBrCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14BrN/c15-11-16-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,16H,10-11H2
InChIKeyIQVOOOVGDZCWCU-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
N-[(4-phenylphenyl)methyl]formamide
CID 54112237
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
(4-phenylphenyl)methylhydrazine;hydrochloride
CID 71432751
1-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
CID 24936247
3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
CID 17206786
3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine
CID 115119687
1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532
2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine
CID 103643079
N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine
CID 103701650
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-1-(4-phenylphenyl)methanamine?
The IUPAC name of N-(bromomethyl)-1-(4-phenylphenyl)methanamine (CID 115261872) is N-(bromomethyl)-1-(4-phenylphenyl)methanamine.
What is the SMILES notation for N-(bromomethyl)-1-(4-phenylphenyl)methanamine?
The canonical SMILES for N-(bromomethyl)-1-(4-phenylphenyl)methanamine is BrCNCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(bromomethyl)-1-(4-phenylphenyl)methanamine?
The InChIKey is IQVOOOVGDZCWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c15-11-16-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,16H,10-11H2.
What are the key properties of N-(bromomethyl)-1-(4-phenylphenyl)methanamine?
N-(bromomethyl)-1-(4-phenylphenyl)methanamine has a molecular weight of 276.18 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-1-(4-phenylphenyl)methanamine is sourced from PubChem (CID 115261872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).