1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine

C16H26FNO — CID 116719557

IUPAC1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)C(CCC)OC
InChIInChI=1S/C16H26FNO/c1-5-7-15(19-4)16(18-8-6-2)13-9-12(3)10-14(17)11-13/h9-11,15-16,18H,5-8H2,1-4H3
InChIKeyQRYBJZSJPIWJHE-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.99
Rot. Bonds8

About 1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine

1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine (PubChem CID 116719557) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
PubChem CID116719557
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)C(CCC)OC
InChIInChI=1S/C16H26FNO/c1-5-7-15(19-4)16(18-8-6-2)13-9-12(3)10-14(17)11-13/h9-11,15-16,18H,5-8H2,1-4H3
InChIKeyQRYBJZSJPIWJHE-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719516
1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine
CID 79616365
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719391
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
1-(2,6-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719530
1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719527
1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine
CID 105407006
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79705438
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161179

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine (CID 116719557) is 1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine is CCCNC(c1cc(C)cc(F)c1)C(CCC)OC.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine?
The InChIKey is QRYBJZSJPIWJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-7-15(19-4)16(18-8-6-2)13-9-12(3)10-14(17)11-13/h9-11,15-16,18H,5-8H2,1-4H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine?
1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine is sourced from PubChem (CID 116719557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).