(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride

C12H19ClF2N2O — CID 171206168

IUPAC(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H18F2N2O.ClH/c13-12(14)17-10-6-4-9(5-7-10)11(16)3-1-2-8-15;/h4-7,11-12H,1-3,8,15-16H2;1H/t11-;/m1./s1
InChIKeyGDPPUWFQHZCGKU-RFVHGSKJSA-N
MW280.75 g/mol
LogP2.84
Rot. Bonds7

About (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride

(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride (PubChem CID 171206168) has the molecular formula C12H19ClF2N2O and a molecular weight of 280.75 g/mol. Its IUPAC name is (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
PubChem CID171206168
Molecular FormulaC12H19ClF2N2O
Molecular Weight280.75 g/mol
Exact Mass280.12
IUPAC Name(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H18F2N2O.ClH/c13-12(14)17-10-6-4-9(5-7-10)11(16)3-1-2-8-15;/h4-7,11-12H,1-3,8,15-16H2;1H/t11-;/m1./s1
InChIKeyGDPPUWFQHZCGKU-RFVHGSKJSA-N
XLogP2.84
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171206167
(1S)-1-[3-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171225688
(1R)-1-[3-(difluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171206110
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
CID 171200692
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171228235
4-amino-4-[4-(difluoromethoxy)phenyl]butanoic acid
CID 117364214
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
N'-[1-[4-(difluoromethoxy)phenyl]ethyl]butane-1,4-diamine
CID 60895427
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride (CID 171206168) is (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@@H](N)c1ccc(OC(F)F)cc1.
What is the InChIKey of (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride?
The InChIKey is GDPPUWFQHZCGKU-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H18F2N2O.ClH/c13-12(14)17-10-6-4-9(5-7-10)11(16)3-1-2-8-15;/h4-7,11-12H,1-3,8,15-16H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride?
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride has a molecular weight of 280.75 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171206168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).