1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine

C16H26FNO — CID 55261480

IUPAC1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H26FNO/c1-11(16(2,3)4)9-14(18-5)12-7-8-15(19-6)13(17)10-12/h7-8,10-11,14,18H,9H2,1-6H3
InChIKeyXYBAGBUCVPDXPQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.17
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine

1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine (PubChem CID 55261480) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine
PubChem CID55261480
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H26FNO/c1-11(16(2,3)4)9-14(18-5)12-7-8-15(19-6)13(17)10-12/h7-8,10-11,14,18H,9H2,1-6H3
InChIKeyXYBAGBUCVPDXPQ-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65132898
1-(3-fluoro-4-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 114976941
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365
5-(3-fluoro-4-methoxyphenyl)-5-(methylamino)pentan-2-one
CID 116956141
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949556
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65127588
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
CID 65236183
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105037077
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948678

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine (CID 55261480) is 1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine is CNC(CC(C)C(C)(C)C)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine?
The InChIKey is XYBAGBUCVPDXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-11(16(2,3)4)9-14(18-5)12-7-8-15(19-6)13(17)10-12/h7-8,10-11,14,18H,9H2,1-6H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 55261480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).