1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine

C18H22BrN — CID 81363349

IUPAC1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1cccc(C)c1)c1cccc(Br)c1
InChIInChI=1S/C18H22BrN/c1-4-18(16-9-6-10-17(19)12-16)20-14(3)15-8-5-7-13(2)11-15/h5-12,14,18,20H,4H2,1-3H3/t14-,18?/m0/s1
InChIKeyLMCOSXWSBYDHDX-PIVQAISJSA-N
MW332.29 g/mol
LogP5.56
Rot. Bonds5

About 1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine

1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 81363349) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID81363349
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1cccc(C)c1)c1cccc(Br)c1
InChIInChI=1S/C18H22BrN/c1-4-18(16-9-6-10-17(19)12-16)20-14(3)15-8-5-7-13(2)11-15/h5-12,14,18,20H,4H2,1-3H3/t14-,18?/m0/s1
InChIKeyLMCOSXWSBYDHDX-PIVQAISJSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43673198
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
CID 79236634
1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387901
(2S)-2-[1-(3-bromophenyl)ethylamino]butan-1-ol
CID 104980716
N-[1-(3-bromophenyl)ethyl]hexan-3-amine
CID 63477251

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine (CID 81363349) is 1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine is CCC(N[C@@H](C)c1cccc(C)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is LMCOSXWSBYDHDX-PIVQAISJSA-N. The full InChI is InChI=1S/C18H22BrN/c1-4-18(16-9-6-10-17(19)12-16)20-14(3)15-8-5-7-13(2)11-15/h5-12,14,18,20H,4H2,1-3H3/t14-,18?/m0/s1.
What are the key properties of 1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine?
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 81363349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).