N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine

C16H26FNO — CID 43728698

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
SMILESCOc1ccc(F)cc1C(C)NC(C)CCC(C)C
InChIInChI=1S/C16H26FNO/c1-11(2)6-7-12(3)18-13(4)15-10-14(17)8-9-16(15)19-5/h8-13,18H,6-7H2,1-5H3
InChIKeyCEYQGJFOIBOLJY-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.31
Rot. Bonds7

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine (PubChem CID 43728698) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
PubChem CID43728698
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
SMILESCOc1ccc(F)cc1C(C)NC(C)CCC(C)C
InChIInChI=1S/C16H26FNO/c1-11(2)6-7-12(3)18-13(4)15-10-14(17)8-9-16(15)19-5/h8-13,18H,6-7H2,1-5H3
InChIKeyCEYQGJFOIBOLJY-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81396911
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-ol
CID 171262543
N-[1-(2,5-difluorophenyl)ethyl]-6-methylheptan-2-amine
CID 43108471
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
CID 43191466
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43728739
N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide
CID 47372622
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine (CID 43728698) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine is COc1ccc(F)cc1C(C)NC(C)CCC(C)C.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
The InChIKey is CEYQGJFOIBOLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-11(2)6-7-12(3)18-13(4)15-10-14(17)8-9-16(15)19-5/h8-13,18H,6-7H2,1-5H3.
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 43728698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).