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

C12H18F2N2O — CID 171206167

IUPAC(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H18F2N2O/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/t11-/m1/s1
InChIKeyAVGHAXDELABCTA-LLVKDONJSA-N
MW244.29 g/mol
LogP2.42
Rot. Bonds7

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

(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine (PubChem CID 171206167) has the molecular formula C12H18F2N2O and a molecular weight of 244.29 g/mol. Its IUPAC name is (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine.

Molecular Properties

Compound Name(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine
PubChem CID171206167
Molecular FormulaC12H18F2N2O
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H18F2N2O/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/t11-/m1/s1
InChIKeyAVGHAXDELABCTA-LLVKDONJSA-N
XLogP2.42
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.42
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;hydrochloride
CID 171206168
(1S)-1-[3-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171225688
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
CID 171200692
(1R)-1-[3-(difluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171206110
4-amino-4-[4-(difluoromethoxy)phenyl]butanoic acid
CID 117364214
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171228235
N'-[1-[4-(difluoromethoxy)phenyl]ethyl]butane-1,4-diamine
CID 60895427
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 103053140
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
CID 171208421

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine?
The IUPAC name of (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine (CID 171206167) is (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine.
What is the SMILES notation for (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine?
The canonical SMILES for (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine is NCCCC[C@@H](N)c1ccc(OC(F)F)cc1.
What is the InChIKey of (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine?
The InChIKey is AVGHAXDELABCTA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18F2N2O/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/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine?
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine has a molecular weight of 244.29 g/mol, XLogP of 2.42, 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 is sourced from PubChem (CID 171206167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).