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

C15H24FNO — CID 105035410

IUPAC1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(Cc1cccc(OC)c1F)NC
InChIInChI=1S/C15H24FNO/c1-5-7-11(2)13(17-3)10-12-8-6-9-14(18-4)15(12)16/h6,8-9,11,13,17H,5,7,10H2,1-4H3
InChIKeyRKNOLDNDRHTUMZ-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.40
Rot. Bonds7

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

1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine (PubChem CID 105035410) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine
PubChem CID105035410
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(Cc1cccc(OC)c1F)NC
InChIInChI=1S/C15H24FNO/c1-5-7-11(2)13(17-3)10-12-8-6-9-14(18-4)15(12)16/h6,8-9,11,13,17H,5,7,10H2,1-4H3
InChIKeyRKNOLDNDRHTUMZ-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

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine
CID 105035513
[1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-yl]hydrazine
CID 105219814
3-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,4,4-trimethylpentan-2-amine
CID 116725535
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
CID 113453859
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine
CID 105050915
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]pentan-1-amine
CID 104794616
1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 115862124
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine (CID 105035410) is 1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine is CCCC(C)C(Cc1cccc(OC)c1F)NC.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine?
The InChIKey is RKNOLDNDRHTUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-7-11(2)13(17-3)10-12-8-6-9-14(18-4)15(12)16/h6,8-9,11,13,17H,5,7,10H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine?
1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-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,3-dimethylhexan-2-amine is sourced from PubChem (CID 105035410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).