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

C17H19BrClN — CID 43677717

IUPACN-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NC(C)c1ccccc1Br
InChIInChI=1S/C17H19BrClN/c1-12(11-14-7-9-15(19)10-8-14)20-13(2)16-5-3-4-6-17(16)18/h3-10,12-13,20H,11H2,1-2H3
InChIKeyQDDWEJXGLBVXGX-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.38
Rot. Bonds5

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

N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine (PubChem CID 43677717) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine
PubChem CID43677717
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NC(C)c1ccccc1Br
InChIInChI=1S/C17H19BrClN/c1-12(11-14-7-9-15(19)10-8-14)20-13(2)16-5-3-4-6-17(16)18/h3-10,12-13,20H,11H2,1-2H3
InChIKeyQDDWEJXGLBVXGX-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-2-amine
CID 43677712
N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828576
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
1-bromo-2-[1-bromo-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79454411
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 8540444
(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81378755
N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-4-amine
CID 81383471
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanoic acid
CID 81383676
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine (CID 43677717) is N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine is CC(Cc1ccc(Cl)cc1)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine?
The InChIKey is QDDWEJXGLBVXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-12(11-14-7-9-15(19)10-8-14)20-13(2)16-5-3-4-6-17(16)18/h3-10,12-13,20H,11H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine?
N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine has a molecular weight of 352.70 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine is sourced from PubChem (CID 43677717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).