(1R)-1-(3,4-dibromophenyl)butan-1-amine

C10H13Br2N — CID 130673463

IUPAC(1R)-1-(3,4-dibromophenyl)butan-1-amine
SMILESCCC[C@@H](N)c1ccc(Br)c(Br)c1
InChIInChI=1S/C10H13Br2N/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h4-6,10H,2-3,13H2,1H3/t10-/m1/s1
InChIKeyCKEIJWDQFUCKAC-SNVBAGLBSA-N
MW307.03 g/mol
LogP4.01
Rot. Bonds3

About (1R)-1-(3,4-dibromophenyl)butan-1-amine

(1R)-1-(3,4-dibromophenyl)butan-1-amine (PubChem CID 130673463) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is (1R)-1-(3,4-dibromophenyl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3,4-dibromophenyl)butan-1-amine
PubChem CID130673463
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC Name(1R)-1-(3,4-dibromophenyl)butan-1-amine
SMILESCCC[C@@H](N)c1ccc(Br)c(Br)c1
InChIInChI=1S/C10H13Br2N/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h4-6,10H,2-3,13H2,1H3/t10-/m1/s1
InChIKeyCKEIJWDQFUCKAC-SNVBAGLBSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(1S)-1-(3,4-dibromophenyl)hexan-1-amine
CID 171235073
5-[(1R)-1-aminobutyl]-2-bromoaniline
CID 131106140
(1S)-1-(4-bromo-3-fluorophenyl)butan-1-amine
CID 130730633
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
(1S)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79020953
(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine
CID 171215462
4-[(1R)-1-aminobutyl]-2-bromophenol;hydrochloride
CID 171204277
1-[4-bromo-3-(trifluoromethyl)phenyl]butan-1-amine
CID 114982015
5-[(1S)-1-aminobutyl]-2-bromobenzonitrile
CID 130673893
(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
CID 130641493

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dibromophenyl)butan-1-amine?
The IUPAC name of (1R)-1-(3,4-dibromophenyl)butan-1-amine (CID 130673463) is (1R)-1-(3,4-dibromophenyl)butan-1-amine.
What is the SMILES notation for (1R)-1-(3,4-dibromophenyl)butan-1-amine?
The canonical SMILES for (1R)-1-(3,4-dibromophenyl)butan-1-amine is CCC[C@@H](N)c1ccc(Br)c(Br)c1.
What is the InChIKey of (1R)-1-(3,4-dibromophenyl)butan-1-amine?
The InChIKey is CKEIJWDQFUCKAC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h4-6,10H,2-3,13H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3,4-dibromophenyl)butan-1-amine?
(1R)-1-(3,4-dibromophenyl)butan-1-amine has a molecular weight of 307.03 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dibromophenyl)butan-1-amine is sourced from PubChem (CID 130673463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).