(2S)-2-(4-bromophenyl)propan-1-amine

C9H12BrN — CID 23566380

IUPAC(2S)-2-(4-bromophenyl)propan-1-amine
SMILESC[C@H](CN)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3/t7-/m1/s1
InChIKeyHVTXSPFHZMRKMS-SSDOTTSWSA-N
MW214.11 g/mol
LogP2.51
Rot. Bonds2

About (2S)-2-(4-bromophenyl)propan-1-amine

(2S)-2-(4-bromophenyl)propan-1-amine (PubChem CID 23566380) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)propan-1-amine
PubChem CID23566380
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name(2S)-2-(4-bromophenyl)propan-1-amine
SMILESC[C@H](CN)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3/t7-/m1/s1
InChIKeyHVTXSPFHZMRKMS-SSDOTTSWSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
CID 11221951
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
5-(1-aminopropan-2-yl)-2-bromoaniline
CID 84692433
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
2-[4-[(2,4-dibromophenoxy)methyl]phenyl]propan-1-amine
CID 105351011
4-[(2R)-1-aminopropan-2-yl]benzonitrile
CID 139426388
1-bromo-4-(1-isocyanopropan-2-yl)benzene
CID 105481575
1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene
CID 153339834
2-(4-isocyanophenyl)propan-1-amine
CID 156627273
4-(4-bromophenyl)-2-oxopentanamide
CID 59163793
[(2S)-2-(4-bromophenyl)propyl] carbamate
CID 175558973
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)propan-1-amine?
The IUPAC name of (2S)-2-(4-bromophenyl)propan-1-amine (CID 23566380) is (2S)-2-(4-bromophenyl)propan-1-amine.
What is the SMILES notation for (2S)-2-(4-bromophenyl)propan-1-amine?
The canonical SMILES for (2S)-2-(4-bromophenyl)propan-1-amine is C[C@H](CN)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)propan-1-amine?
The InChIKey is HVTXSPFHZMRKMS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12BrN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3/t7-/m1/s1.
What are the key properties of (2S)-2-(4-bromophenyl)propan-1-amine?
(2S)-2-(4-bromophenyl)propan-1-amine has a molecular weight of 214.11 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)propan-1-amine is sourced from PubChem (CID 23566380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).