N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine

C15H15BrClN — CID 65024410

IUPACN-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
SMILESClC(CNCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H15BrClN/c16-14-8-4-5-12(9-14)10-18-11-15(17)13-6-2-1-3-7-13/h1-9,15,18H,10-11H2
InChIKeyAYQYLCJYGPAZFD-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.52
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine

N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine (PubChem CID 65024410) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
PubChem CID65024410
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC NameN-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
SMILESClC(CNCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H15BrClN/c16-14-8-4-5-12(9-14)10-18-11-15(17)13-6-2-1-3-7-13/h1-9,15,18H,10-11H2
InChIKeyAYQYLCJYGPAZFD-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65024298
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43180724
N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854274
2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 65026851
1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine
CID 60657346
2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65026294
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene
CID 63542515
N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43225620
1-(3-bromophenyl)-N-chloromethanamine
CID 90399369

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine (CID 65024410) is N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine is ClC(CNCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine?
The InChIKey is AYQYLCJYGPAZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c16-14-8-4-5-12(9-14)10-18-11-15(17)13-6-2-1-3-7-13/h1-9,15,18H,10-11H2.
What are the key properties of N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine?
N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine has a molecular weight of 324.65 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine is sourced from PubChem (CID 65024410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).