(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride

C11H16BrClF2N2 — CID 171206699

IUPAC(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H15BrF2N2.ClH/c12-7-5-8(13)11(9(14)6-7)10(16)3-1-2-4-15;/h5-6,10H,1-4,15-16H2;1H/t10-;/m1./s1
InChIKeyUNFMVTBDCQHCNL-HNCPQSOCSA-N
MW329.62 g/mol
LogP3.28
Rot. Bonds5

About (1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride

(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride (PubChem CID 171206699) has the molecular formula C11H16BrClF2N2 and a molecular weight of 329.62 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride
PubChem CID171206699
Molecular FormulaC11H16BrClF2N2
Molecular Weight329.62 g/mol
Exact Mass328.02
IUPAC Name(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H15BrF2N2.ClH/c12-7-5-8(13)11(9(14)6-7)10(16)3-1-2-4-15;/h5-6,10H,1-4,15-16H2;1H/t10-;/m1./s1
InChIKeyUNFMVTBDCQHCNL-HNCPQSOCSA-N
XLogP3.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 53.28
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

(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171206711
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(1S)-1-(2,6-difluoro-4-methoxyphenyl)pentane-1,5-diamine
CID 171235409
(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine
CID 171204878
(1S)-1-(4-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313079
1-(4-bromo-2,6-difluorophenyl)pent-4-yn-1-amine
CID 115859648
(1R)-1-(2,3,6-trifluorophenyl)pentane-1,5-diamine
CID 171205092
(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 131315667
(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol
CID 130774352
(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171223503

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride (CID 171206699) is (1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@@H](N)c1c(F)cc(Br)cc1F.
What is the InChIKey of (1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride?
The InChIKey is UNFMVTBDCQHCNL-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15BrF2N2.ClH/c12-7-5-8(13)11(9(14)6-7)10(16)3-1-2-4-15;/h5-6,10H,1-4,15-16H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride?
(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride has a molecular weight of 329.62 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171206699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).