N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine

C17H19BrClN — CID 81383700

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C17H19BrClN/c1-3-17(13-7-6-8-14(19)11-13)20-12(2)15-9-4-5-10-16(15)18/h4-12,17,20H,3H2,1-2H3/t12-,17?/m1/s1
InChIKeyMZOXPYVZOFIDPR-MTATWXBHSA-N
MW352.70 g/mol
LogP5.90
Rot. Bonds5

About N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine (PubChem CID 81383700) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
PubChem CID81383700
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1Br)c1cccc(Cl)c1
InChIInChI=1S/C17H19BrClN/c1-3-17(13-7-6-8-14(19)11-13)20-12(2)15-9-4-5-10-16(15)18/h4-12,17,20H,3H2,1-2H3/t12-,17?/m1/s1
InChIKeyMZOXPYVZOFIDPR-MTATWXBHSA-N
XLogP5.90
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 ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 82964592
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81378982
N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
1-(3-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 43674019
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine (CID 81383700) is N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine is CCC(N[C@H](C)c1ccccc1Br)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine?
The InChIKey is MZOXPYVZOFIDPR-MTATWXBHSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-3-17(13-7-6-8-14(19)11-13)20-12(2)15-9-4-5-10-16(15)18/h4-12,17,20H,3H2,1-2H3/t12-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine has a molecular weight of 352.70 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 81383700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).