2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine

C15H25FN2 — CID 65376902

IUPAC2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
SMILESCCCCCCC(C)(CN)Nc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-3-4-5-8-11-15(2,12-17)18-14-10-7-6-9-13(14)16/h6-7,9-10,18H,3-5,8,11-12,17H2,1-2H3
InChIKeyPHPURLONIAZCFX-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.93
Rot. Bonds8

About 2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine

2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine (PubChem CID 65376902) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
PubChem CID65376902
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
SMILESCCCCCCC(C)(CN)Nc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-3-4-5-8-11-15(2,12-17)18-14-10-7-6-9-13(14)16/h6-7,9-10,18H,3-5,8,11-12,17H2,1-2H3
InChIKeyPHPURLONIAZCFX-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.93
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

2-(2-fluoroanilino)-2-methylnonan-1-ol
CID 55198849
2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65379404
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552
2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
CID 80557635
2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine
CID 65378984
methyl 2-(2-fluoroanilino)-2-methylnonanoate
CID 63525929
2-N-(2-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831551
2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
CID 65377345
methyl 2-(2-fluoroanilino)-2-methylheptanoate
CID 80557964
2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine
CID 65377999
3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 113490048
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine (CID 65376902) is 2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine is CCCCCCC(C)(CN)Nc1ccccc1F.
What is the InChIKey of 2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine?
The InChIKey is PHPURLONIAZCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-3-4-5-8-11-15(2,12-17)18-14-10-7-6-9-13(14)16/h6-7,9-10,18H,3-5,8,11-12,17H2,1-2H3.
What are the key properties of 2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine?
2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine is sourced from PubChem (CID 65376902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).