(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine

C9H10BrClFN — CID 131362641

IUPAC(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine
SMILESN[C@H](CCF)c1ccc(Cl)cc1Br
InChIInChI=1S/C9H10BrClFN/c10-8-5-6(11)1-2-7(8)9(13)3-4-12/h1-2,5,9H,3-4,13H2/t9-/m1/s1
InChIKeyVDDAPZVWRMJGNX-SECBINFHSA-N
MW266.54 g/mol
LogP3.46
Rot. Bonds3

About (1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine

(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine (PubChem CID 131362641) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine
PubChem CID131362641
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine
SMILESN[C@H](CCF)c1ccc(Cl)cc1Br
InChIInChI=1S/C9H10BrClFN/c10-8-5-6(11)1-2-7(8)9(13)3-4-12/h1-2,5,9H,3-4,13H2/t9-/m1/s1
InChIKeyVDDAPZVWRMJGNX-SECBINFHSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
CID 171223334
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
CID 131460461
1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine
CID 103947027
1-(2-bromo-4-chlorophenyl)octan-1-amine
CID 107992453
(1S)-1-(2-bromo-4-chlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313001
(1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171202134
4-amino-4-(2-bromo-4-chlorophenyl)butanoic acid
CID 117472459
(1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride
CID 171203790
(1S)-1-(2-bromo-4-chlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171223347
1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine
CID 107994199
(1S)-1-(2-bromo-5-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171223288

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine?
The IUPAC name of (1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine (CID 131362641) is (1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine?
The canonical SMILES for (1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine is N[C@H](CCF)c1ccc(Cl)cc1Br.
What is the InChIKey of (1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine?
The InChIKey is VDDAPZVWRMJGNX-SECBINFHSA-N. The full InChI is InChI=1S/C9H10BrClFN/c10-8-5-6(11)1-2-7(8)9(13)3-4-12/h1-2,5,9H,3-4,13H2/t9-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine?
(1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine has a molecular weight of 266.54 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-4-chlorophenyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 131362641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).