1-[3-(difluoromethoxy)phenyl]nonan-1-amine

C16H25F2NO — CID 115835822

IUPAC1-[3-(difluoromethoxy)phenyl]nonan-1-amine
SMILESCCCCCCCCC(N)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H25F2NO/c1-2-3-4-5-6-7-11-15(19)13-9-8-10-14(12-13)20-16(17)18/h8-10,12,15-16H,2-7,11,19H2,1H3
InChIKeyZLOMEQXEEJSANC-UHFFFAOYSA-N
MW285.38 g/mol
LogP5.04
Rot. Bonds10

About 1-[3-(difluoromethoxy)phenyl]nonan-1-amine

1-[3-(difluoromethoxy)phenyl]nonan-1-amine (PubChem CID 115835822) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]nonan-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]nonan-1-amine
PubChem CID115835822
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-[3-(difluoromethoxy)phenyl]nonan-1-amine
SMILESCCCCCCCCC(N)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H25F2NO/c1-2-3-4-5-6-7-11-15(19)13-9-8-10-14(12-13)20-16(17)18/h8-10,12,15-16H,2-7,11,19H2,1H3
InChIKeyZLOMEQXEEJSANC-UHFFFAOYSA-N
XLogP5.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
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-[3-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171225688
1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
CID 115854116
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
(1R)-1-[3-(difluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171206110
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 170874621
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
1-(difluoromethoxy)-3-octan-4-ylbenzene
CID 143471729
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
(1S)-1-[3-(difluoromethoxy)phenyl]pent-4-en-1-amine
CID 171225720
1-(3-octan-2-yloxyphenyl)ethanamine
CID 79168344

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]nonan-1-amine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]nonan-1-amine (CID 115835822) is 1-[3-(difluoromethoxy)phenyl]nonan-1-amine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]nonan-1-amine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]nonan-1-amine is CCCCCCCCC(N)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]nonan-1-amine?
The InChIKey is ZLOMEQXEEJSANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-2-3-4-5-6-7-11-15(19)13-9-8-10-14(12-13)20-16(17)18/h8-10,12,15-16H,2-7,11,19H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]nonan-1-amine?
1-[3-(difluoromethoxy)phenyl]nonan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]nonan-1-amine is sourced from PubChem (CID 115835822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).