N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine

C18H21BrClN — CID 43695932

IUPACN-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
SMILESCCC(NC(C)Cc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H21BrClN/c1-3-18(15-5-4-6-17(20)12-15)21-13(2)11-14-7-9-16(19)10-8-14/h4-10,12-13,18,21H,3,11H2,1-2H3
InChIKeyKRQCXDWZAGICHP-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.77
Rot. Bonds6

About N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine

N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine (PubChem CID 43695932) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
PubChem CID43695932
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
SMILESCCC(NC(C)Cc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H21BrClN/c1-3-18(15-5-4-6-17(20)12-15)21-13(2)11-14-7-9-16(19)10-8-14/h4-10,12-13,18,21H,3,11H2,1-2H3
InChIKeyKRQCXDWZAGICHP-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 60819176
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
CID 103387962
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine
CID 43695964
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
CID 43110456
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 82964592
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
3-N-[1-(3-chlorophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963660

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine (CID 43695932) is N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine is CCC(NC(C)Cc1ccc(Br)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine?
The InChIKey is KRQCXDWZAGICHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-3-18(15-5-4-6-17(20)12-15)21-13(2)11-14-7-9-16(19)10-8-14/h4-10,12-13,18,21H,3,11H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine?
N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine has a molecular weight of 366.73 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 43695932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).