(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine

C12H16BrF2N — CID 171205160

IUPAC(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C12H16BrF2N/c1-7(2)3-6-10(16)11-9(14)5-4-8(13)12(11)15/h4-5,7,10H,3,6,16H2,1-2H3/t10-/m1/s1
InChIKeyUKRQXAQHZXFBDO-SNVBAGLBSA-N
MW292.17 g/mol
LogP4.16
Rot. Bonds4

About (1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine

(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine (PubChem CID 171205160) has the molecular formula C12H16BrF2N and a molecular weight of 292.17 g/mol. Its IUPAC name is (1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine
PubChem CID171205160
Molecular FormulaC12H16BrF2N
Molecular Weight292.17 g/mol
Exact Mass291.04
IUPAC Name(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C12H16BrF2N/c1-7(2)3-6-10(16)11-9(14)5-4-8(13)12(11)15/h4-5,7,10H,3,6,16H2,1-2H3/t10-/m1/s1
InChIKeyUKRQXAQHZXFBDO-SNVBAGLBSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
CID 103947002
1-(3-bromo-2,6-difluorophenyl)-3-methylsulfanylpropan-1-amine
CID 106944684
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
(1S)-1-(3-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313035
(1R)-1-(3-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313666
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854
(1R)-1-(2,3-dichloro-6-fluorophenyl)-4-methylpentan-1-amine
CID 171215609
1-(3-bromo-2,6-difluorophenyl)-2-tert-butylsulfanylethanamine
CID 106942551
1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine
CID 106942519
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
3-amino-3-(3-bromo-2,6-difluorophenyl)propanoic acid
CID 117449262
ethyl (3R)-3-amino-3-(3-bromo-2,6-difluorophenyl)propanoate
CID 171205164

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine (CID 171205160) is (1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine is CC(C)CC[C@@H](N)c1c(F)ccc(Br)c1F.
What is the InChIKey of (1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine?
The InChIKey is UKRQXAQHZXFBDO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16BrF2N/c1-7(2)3-6-10(16)11-9(14)5-4-8(13)12(11)15/h4-5,7,10H,3,6,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine?
(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine has a molecular weight of 292.17 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 171205160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).