(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride

C11H17BrClFN2 — CID 171203680

IUPAC(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1cccc(Br)c1F
InChIInChI=1S/C11H16BrFN2.ClH/c12-9-5-3-4-8(11(9)13)10(15)6-1-2-7-14;/h3-5,10H,1-2,6-7,14-15H2;1H/t10-;/m1./s1
InChIKeyYAHKAKFRBQPVLS-HNCPQSOCSA-N
MW311.63 g/mol
LogP3.14
Rot. Bonds5

About (1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride

(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride (PubChem CID 171203680) has the molecular formula C11H17BrClFN2 and a molecular weight of 311.63 g/mol. Its IUPAC name is (1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride
PubChem CID171203680
Molecular FormulaC11H17BrClFN2
Molecular Weight311.63 g/mol
Exact Mass310.02
IUPAC Name(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1cccc(Br)c1F
InChIInChI=1S/C11H16BrFN2.ClH/c12-9-5-3-4-8(11(9)13)10(15)6-1-2-7-14;/h3-5,10H,1-2,6-7,14-15H2;1H/t10-;/m1./s1
InChIKeyYAHKAKFRBQPVLS-HNCPQSOCSA-N
XLogP3.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2-fluorophenyl)undecan-1-amine
CID 107952817
(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171203694
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
CID 171204126
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
(1R)-1-(3-fluoro-2-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171203806
(1S)-1-(2-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171225266
1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 106645991
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
CID 171209299
1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106647905

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride (CID 171203680) is (1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@@H](N)c1cccc(Br)c1F.
What is the InChIKey of (1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride?
The InChIKey is YAHKAKFRBQPVLS-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H16BrFN2.ClH/c12-9-5-3-4-8(11(9)13)10(15)6-1-2-7-14;/h3-5,10H,1-2,6-7,14-15H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride?
(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride has a molecular weight of 311.63 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171203680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).