1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine

C15H22F2N2O — CID 79458545

IUPAC1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H22F2N2O/c1-10(19-13-6-3-5-12(18)9-13)11-4-2-7-14(8-11)20-15(16)17/h2,4,7-8,10,12-13,15,19H,3,5-6,9,18H2,1H3
InChIKeyHFQGYZLRWPQFQM-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.21
Rot. Bonds5

About 1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine

1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine (PubChem CID 79458545) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine
PubChem CID79458545
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H22F2N2O/c1-10(19-13-6-3-5-12(18)9-13)11-4-2-7-14(8-11)20-15(16)17/h2,4,7-8,10,12-13,15,19H,3,5-6,9,18H2,1H3
InChIKeyHFQGYZLRWPQFQM-UHFFFAOYSA-N
XLogP3.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43200712
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786631
[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]cyclopentyl]methanol
CID 103786076
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771
1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459154
1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
CID 79459404
(4R)-1-cyclopropyl-4-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]pyrrolidin-2-one
CID 97102179
(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709
[[3-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]hydrazine
CID 105313509
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
CID 79461771
1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
CID 79458936

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine (CID 79458545) is 1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine is CC(NC1CCCC(N)C1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine?
The InChIKey is HFQGYZLRWPQFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-10(19-13-6-3-5-12(18)9-13)11-4-2-7-14(8-11)20-15(16)17/h2,4,7-8,10,12-13,15,19H,3,5-6,9,18H2,1H3.
What are the key properties of 1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine?
1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine has a molecular weight of 284.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79458545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).