(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride

C11H16BrClFN — CID 171200915

IUPAC(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C11H15BrFN.ClH/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8;/h5-7,11H,2-4,14H2,1H3;1H/t11-;/m1./s1
InChIKeyZXTGSVIKGRGTIG-RFVHGSKJSA-N
MW296.61 g/mol
LogP4.20
Rot. Bonds4

About (1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride

(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride (PubChem CID 171200915) has the molecular formula C11H16BrClFN and a molecular weight of 296.61 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
PubChem CID171200915
Molecular FormulaC11H16BrClFN
Molecular Weight296.61 g/mol
Exact Mass295.01
IUPAC Name(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C11H15BrFN.ClH/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8;/h5-7,11H,2-4,14H2,1H3;1H/t11-;/m1./s1
InChIKeyZXTGSVIKGRGTIG-RFVHGSKJSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.61
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-bromo-4-fluorophenyl)pentan-1-amine
CID 146013246
(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
(1S)-1-(3-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220445
2-bromo-4-(1-bromopentyl)-1-fluorobenzene
CID 79742692
3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
CID 170874533
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200922
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840
(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
CID 171222556
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171200921
(1S)-1-(3,4-dibromophenyl)hexan-1-amine
CID 171235073

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride (CID 171200915) is (1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1ccc(F)c(Br)c1.Cl.
What is the InChIKey of (1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride?
The InChIKey is ZXTGSVIKGRGTIG-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H15BrFN.ClH/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8;/h5-7,11H,2-4,14H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride?
(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride has a molecular weight of 296.61 g/mol, XLogP of 4.20, 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-4-fluorophenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171200915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).