2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine

C17H19BrClN — CID 63522603

IUPAC2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1)Cc1cccc(Br)c1
InChIInChI=1S/C17H19BrClN/c1-20-12-15(9-13-5-7-17(19)8-6-13)10-14-3-2-4-16(18)11-14/h2-8,11,15,20H,9-10,12H2,1H3
InChIKeyWHUNYHFDNKCLHJ-UHFFFAOYSA-N
MW352.70 g/mol
LogP4.72
Rot. Bonds6

About 2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine

2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine (PubChem CID 63522603) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
PubChem CID63522603
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1)Cc1cccc(Br)c1
InChIInChI=1S/C17H19BrClN/c1-20-12-15(9-13-5-7-17(19)8-6-13)10-14-3-2-4-16(18)11-14/h2-8,11,15,20H,9-10,12H2,1H3
InChIKeyWHUNYHFDNKCLHJ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.70
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methyl]-3-(3,4-difluorophenyl)-N-methylpropan-1-amine
CID 82925875
2-[(3-bromophenyl)methyl]-3-(4-chloro-3-fluorophenyl)-N-methylpropan-1-amine
CID 107897206
2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine
CID 63522254
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049659
2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 62515402
2-[(3-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
CID 63521745
2-[(3-bromophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516635
2-[(3-bromophenyl)methyl]-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 62516122
2-[(3-bromophenyl)methyl]-3-(5-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63522640
2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-[(3-bromophenyl)methyl]-3-(5-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 105374882

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine (CID 63522603) is 2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Cl)cc1)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine?
The InChIKey is WHUNYHFDNKCLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-20-12-15(9-13-5-7-17(19)8-6-13)10-14-3-2-4-16(18)11-14/h2-8,11,15,20H,9-10,12H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine?
2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine has a molecular weight of 352.70 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 63522603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).