N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride

C15H16BrCl2NO — CID 17289791

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
SMILESCOc1ccc(Br)cc1CNCc1ccccc1Cl.Cl
InChIInChI=1S/C15H15BrClNO.ClH/c1-19-15-7-6-13(16)8-12(15)10-18-9-11-4-2-3-5-14(11)17;/h2-8,18H,9-10H2,1H3;1H
InChIKeyOOHGRRDHURMSPL-UHFFFAOYSA-N
MW377.11 g/mol
LogP4.82
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride (PubChem CID 17289791) has the molecular formula C15H16BrCl2NO and a molecular weight of 377.11 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
PubChem CID17289791
Molecular FormulaC15H16BrCl2NO
Molecular Weight377.11 g/mol
Exact Mass374.98
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
SMILESCOc1ccc(Br)cc1CNCc1ccccc1Cl.Cl
InChIInChI=1S/C15H15BrClNO.ClH/c1-19-15-7-6-13(16)8-12(15)10-18-9-11-4-2-3-5-14(11)17;/h2-8,18H,9-10H2,1H3;1H
InChIKeyOOHGRRDHURMSPL-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.11
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride 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-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 43220575
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724119
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332470
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208055
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43217091
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819
4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 45029997
N-[(5-bromo-2-methoxyphenyl)methyl]-4-chlorobutan-1-amine
CID 106844337

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride (CID 17289791) is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride is COc1ccc(Br)cc1CNCc1ccccc1Cl.Cl.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride?
The InChIKey is OOHGRRDHURMSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO.ClH/c1-19-15-7-6-13(16)8-12(15)10-18-9-11-4-2-3-5-14(11)17;/h2-8,18H,9-10H2,1H3;1H.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride?
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride has a molecular weight of 377.11 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 17289791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).