1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine

C16H16BrCl2N — CID 60789791

IUPAC1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16BrCl2N/c1-11(6-12-2-4-14(17)5-3-12)20-10-13-7-15(18)9-16(19)8-13/h2-5,7-9,11,20H,6,10H2,1H3
InChIKeyWIRQCBDMGRDWBP-UHFFFAOYSA-N
MW373.12 g/mol
LogP5.48
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine

1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine (PubChem CID 60789791) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
PubChem CID60789791
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16BrCl2N/c1-11(6-12-2-4-14(17)5-3-12)20-10-13-7-15(18)9-16(19)8-13/h2-5,7-9,11,20H,6,10H2,1H3
InChIKeyWIRQCBDMGRDWBP-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
CID 43695878
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
N-[(3,5-dichlorophenyl)methyl]butan-2-amine
CID 46736337
(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine
CID 104868163
N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine
CID 66159290
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
N-[(3-bromo-5-fluorophenyl)methyl]-1-phenylpropan-2-amine
CID 79710487
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
CID 43783642
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzene-1,3-diol
CID 43695780
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine (CID 60789791) is 1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine is CC(Cc1ccc(Br)cc1)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine?
The InChIKey is WIRQCBDMGRDWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-11(6-12-2-4-14(17)5-3-12)20-10-13-7-15(18)9-16(19)8-13/h2-5,7-9,11,20H,6,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine?
1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine has a molecular weight of 373.12 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 60789791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).