2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine

C14H23FN2O — CID 114839130

IUPAC2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine
SMILESCCCC(C)C(CN)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C14H23FN2O/c1-4-5-10(2)13(9-16)17-11-6-7-12(15)14(8-11)18-3/h6-8,10,13,17H,4-5,9,16H2,1-3H3
InChIKeyKQTMUWDMBJGDEM-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.01
Rot. Bonds7

About 2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine

2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine (PubChem CID 114839130) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine
PubChem CID114839130
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine
SMILESCCCC(C)C(CN)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C14H23FN2O/c1-4-5-10(2)13(9-16)17-11-6-7-12(15)14(8-11)18-3/h6-8,10,13,17H,4-5,9,16H2,1-3H3
InChIKeyKQTMUWDMBJGDEM-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline
CID 114838484
3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
CID 114839015
4-fluoro-N-heptan-3-yl-3-methoxyaniline
CID 114838067
1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine
CID 107894085
4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide
CID 114838945
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839107
2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine
CID 115137890
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839027
N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine?
The IUPAC name of 2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine (CID 114839130) is 2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine?
The canonical SMILES for 2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine is CCCC(C)C(CN)Nc1ccc(F)c(OC)c1.
What is the InChIKey of 2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine?
The InChIKey is KQTMUWDMBJGDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-5-10(2)13(9-16)17-11-6-7-12(15)14(8-11)18-3/h6-8,10,13,17H,4-5,9,16H2,1-3H3.
What are the key properties of 2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine?
2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine is sourced from PubChem (CID 114839130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).