N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine

C14H22FNO — CID 113453549

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cccc(OC)c1F
InChIInChI=1S/C14H22FNO/c1-4-5-7-11(2)16-10-12-8-6-9-13(17-3)14(12)15/h6,8-9,11,16H,4-5,7,10H2,1-3H3
InChIKeyUPYVZENXTCZTIT-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.50
Rot. Bonds7

About N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine

N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine (PubChem CID 113453549) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
PubChem CID113453549
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cccc(OC)c1F
InChIInChI=1S/C14H22FNO/c1-4-5-7-11(2)16-10-12-8-6-9-13(17-3)14(12)15/h6,8-9,11,16H,4-5,7,10H2,1-3H3
InChIKeyUPYVZENXTCZTIT-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2-fluoro-3-methoxyphenyl)methyl]butan-2-amine
CID 104794935
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine
CID 62198160
2-[(2-fluoro-3-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 104791915
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 104791634
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 104795127
1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791622
N-[(2-fluoro-3-methoxyphenyl)methyl]pent-1-yn-3-amine
CID 106229407
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine (CID 113453549) is N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine is CCCCC(C)NCc1cccc(OC)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine?
The InChIKey is UPYVZENXTCZTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-5-7-11(2)16-10-12-8-6-9-13(17-3)14(12)15/h6,8-9,11,16H,4-5,7,10H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine?
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine is sourced from PubChem (CID 113453549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).