(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine

C9H11BrIN — CID 130713970

IUPAC(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine
SMILESCC[C@H](N)c1cc(I)ccc1Br
InChIInChI=1S/C9H11BrIN/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5,9H,2,12H2,1H3/t9-/m0/s1
InChIKeyUNPWEXLLBDJERR-VIFPVBQESA-N
MW340.00 g/mol
LogP3.46
Rot. Bonds2

About (1S)-1-(2-bromo-5-iodophenyl)propan-1-amine

(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine (PubChem CID 130713970) has the molecular formula C9H11BrIN and a molecular weight of 340.00 g/mol. Its IUPAC name is (1S)-1-(2-bromo-5-iodophenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine
PubChem CID130713970
Molecular FormulaC9H11BrIN
Molecular Weight340.00 g/mol
Exact Mass338.91
IUPAC Name(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine
SMILESCC[C@H](N)c1cc(I)ccc1Br
InChIInChI=1S/C9H11BrIN/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5,9H,2,12H2,1H3/t9-/m0/s1
InChIKeyUNPWEXLLBDJERR-VIFPVBQESA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.00
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(2-bromo-5-iodophenyl)propanenitrile
CID 130000376
1-(2-bromo-5-iodophenyl)-5,5-dimethylhexan-1-amine
CID 114210895
(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
CID 130883143
3-[(1S)-1-aminopropyl]-4-bromobenzoic acid
CID 130730196
1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanamine
CID 114026947
1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 83988951
4-[(1R)-1-aminopropyl]-3-bromoaniline
CID 131173181
(1R)-1-(2-bromo-4,5-diethoxyphenyl)propan-1-amine
CID 82759031
(1S)-1-(4-bromo-3-pyridinyl)propan-1-amine
CID 130713108
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine
CID 130617491
1-(2-bromo-5-iodophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114027050

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-5-iodophenyl)propan-1-amine?
The IUPAC name of (1S)-1-(2-bromo-5-iodophenyl)propan-1-amine (CID 130713970) is (1S)-1-(2-bromo-5-iodophenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(2-bromo-5-iodophenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(2-bromo-5-iodophenyl)propan-1-amine is CC[C@H](N)c1cc(I)ccc1Br.
What is the InChIKey of (1S)-1-(2-bromo-5-iodophenyl)propan-1-amine?
The InChIKey is UNPWEXLLBDJERR-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11BrIN/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5,9H,2,12H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2-bromo-5-iodophenyl)propan-1-amine?
(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine has a molecular weight of 340.00 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-5-iodophenyl)propan-1-amine is sourced from PubChem (CID 130713970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).