(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine

C10H14BrFN2 — CID 171223208

IUPAC(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
SMILESNCCC[C@H](N)c1c(F)cccc1Br
InChIInChI=1S/C10H14BrFN2/c11-7-3-1-4-8(12)10(7)9(14)5-2-6-13/h1,3-4,9H,2,5-6,13-14H2/t9-/m0/s1
InChIKeyRENCLGXGBSWUHP-VIFPVBQESA-N
MW261.14 g/mol
LogP2.33
Rot. Bonds4

About (1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine

(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine (PubChem CID 171223208) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is (1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
PubChem CID171223208
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC Name(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
SMILESNCCC[C@H](N)c1c(F)cccc1Br
InChIInChI=1S/C10H14BrFN2/c11-7-3-1-4-8(12)10(7)9(14)5-2-6-13/h1,3-4,9H,2,5-6,13-14H2/t9-/m0/s1
InChIKeyRENCLGXGBSWUHP-VIFPVBQESA-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

(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171223240
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
(1S)-1-(2-bromo-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 171223217
1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
CID 114559896
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine
CID 131145671
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol
CID 102516083
(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171203680
1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine?
The IUPAC name of (1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine (CID 171223208) is (1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine.
What is the SMILES notation for (1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine?
The canonical SMILES for (1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine is NCCC[C@H](N)c1c(F)cccc1Br.
What is the InChIKey of (1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine?
The InChIKey is RENCLGXGBSWUHP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14BrFN2/c11-7-3-1-4-8(12)10(7)9(14)5-2-6-13/h1,3-4,9H,2,5-6,13-14H2/t9-/m0/s1.
What are the key properties of (1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine?
(1S)-1-(2-bromo-6-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-(2-bromo-6-fluorophenyl)butane-1,4-diamine is sourced from PubChem (CID 171223208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).