1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine

C17H28FNO — CID 81305365

IUPAC1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(OC)cc1F
InChIInChI=1S/C17H28FNO/c1-6-11-19-16(9-10-17(2,3)4)14-8-7-13(20-5)12-15(14)18/h7-8,12,16,19H,6,9-11H2,1-5H3
InChIKeyNBFDQGLXVXMCME-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.70
Rot. Bonds7

About 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine

1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 81305365) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID81305365
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(OC)cc1F
InChIInChI=1S/C17H28FNO/c1-6-11-19-16(9-10-17(2,3)4)14-8-7-13(20-5)12-15(14)18/h7-8,12,16,19H,6,9-11H2,1-5H3
InChIKeyNBFDQGLXVXMCME-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
CID 43561596
1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63418611
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 115849735
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156287
N-[2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 113260289
1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115850153
N-[2-(5-bromothiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 81302393
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 81304178
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 102882783
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine (CID 81305365) is 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is NBFDQGLXVXMCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-6-11-19-16(9-10-17(2,3)4)14-8-7-13(20-5)12-15(14)18/h7-8,12,16,19H,6,9-11H2,1-5H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 81305365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).