1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine

C15H24FNO — CID 104792687

IUPAC1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine
SMILESCNC(CCc1cccc(OC)c1F)CC(C)C
InChIInChI=1S/C15H24FNO/c1-11(2)10-13(17-3)9-8-12-6-5-7-14(18-4)15(12)16/h5-7,11,13,17H,8-10H2,1-4H3
InChIKeySYVPOOCZOUYPND-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.40
Rot. Bonds7

About 1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine

1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine (PubChem CID 104792687) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine
PubChem CID104792687
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine
SMILESCNC(CCc1cccc(OC)c1F)CC(C)C
InChIInChI=1S/C15H24FNO/c1-11(2)10-13(17-3)9-8-12-6-5-7-14(18-4)15(12)16/h5-7,11,13,17H,8-10H2,1-4H3
InChIKeySYVPOOCZOUYPND-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine 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

1-(2-fluoro-3-methoxyphenyl)-5-methylhexan-3-amine
CID 104792686
1-(2-fluoro-3-nitrophenyl)-N,5-dimethylhexan-3-amine
CID 107350066
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 82811862
4-chloro-N-[(2-fluoro-3-methoxyphenyl)methyl]butan-2-amine
CID 104794935
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
1-(3-chloro-4,4-dimethylpentyl)-2-fluoro-3-methoxybenzene
CID 82812107
1-(2-chlorophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 104793876
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine
CID 104794588
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol
CID 113453955
1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine
CID 105035513

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine (CID 104792687) is 1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine is CNC(CCc1cccc(OC)c1F)CC(C)C.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine?
The InChIKey is SYVPOOCZOUYPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11(2)10-13(17-3)9-8-12-6-5-7-14(18-4)15(12)16/h5-7,11,13,17H,8-10H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine?
1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine has a molecular weight of 253.36 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine is sourced from PubChem (CID 104792687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).