(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine

C10H14BrFN2 — CID 171218948

IUPAC(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine
SMILESNCCC[C@H](N)c1ccc(Br)cc1F
InChIInChI=1S/C10H14BrFN2/c11-7-3-4-8(9(12)6-7)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2/t10-/m0/s1
InChIKeyIPWFYMWVEIBNKF-JTQLQIEISA-N
MW261.14 g/mol
LogP2.33
Rot. Bonds4

About (1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine

(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine (PubChem CID 171218948) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is (1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine
PubChem CID171218948
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC Name(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine
SMILESNCCC[C@H](N)c1ccc(Br)cc1F
InChIInChI=1S/C10H14BrFN2/c11-7-3-4-8(9(12)6-7)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2/t10-/m0/s1
InChIKeyIPWFYMWVEIBNKF-JTQLQIEISA-N
XLogP2.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 114906017
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
4-amino-4-(4-bromo-2-fluorophenyl)butanoic acid
CID 84714295
1-(4-bromo-2-fluorophenyl)-3-methylsulfonylpropan-1-amine
CID 114905996
(1S)-1-(2-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220750
1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
CID 112693311
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(1R)-1-(2,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171199026
(1S)-1-(4-chloro-2-fluorophenyl)pentane-1,5-diamine
CID 171222468
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
1-(4-bromo-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 114906230
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine?
The IUPAC name of (1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine (CID 171218948) is (1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine.
What is the SMILES notation for (1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine?
The canonical SMILES for (1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine is NCCC[C@H](N)c1ccc(Br)cc1F.
What is the InChIKey of (1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine?
The InChIKey is IPWFYMWVEIBNKF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14BrFN2/c11-7-3-4-8(9(12)6-7)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2/t10-/m0/s1.
What are the key properties of (1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine?
(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine has a molecular weight of 261.14 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine is sourced from PubChem (CID 171218948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).