1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine

C16H26FNO — CID 43561596

IUPAC1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1ccc(OC)cc1F
InChIInChI=1S/C16H26FNO/c1-5-10-18-16(9-6-12(2)3)14-8-7-13(19-4)11-15(14)17/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3
InChIKeyPGIUGWOGFJCYBL-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.31
Rot. Bonds8

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

1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine (PubChem CID 43561596) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
PubChem CID43561596
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1ccc(OC)cc1F
InChIInChI=1S/C16H26FNO/c1-5-10-18-16(9-6-12(2)3)14-8-7-13(19-4)11-15(14)17/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3
InChIKeyPGIUGWOGFJCYBL-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156287
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028
N-[2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 113260289
4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 55186996
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
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 102882783
2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
CID 43561588
(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine
CID 103395819

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine (CID 43561596) is 1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)C)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is PGIUGWOGFJCYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-10-18-16(9-6-12(2)3)14-8-7-13(19-4)11-15(14)17/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine?
1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.31, 8 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-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 43561596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).