1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine

C16H26FNO — CID 82811862

IUPAC1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1cccc(OC)c1F)C(C)C
InChIInChI=1S/C16H26FNO/c1-5-11-18-14(12(2)3)10-9-13-7-6-8-15(19-4)16(13)17/h6-8,12,14,18H,5,9-11H2,1-4H3
InChIKeyKAQLRVASVDJFCN-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.79
Rot. Bonds8

About 1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine

1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine (PubChem CID 82811862) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
PubChem CID82811862
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1cccc(OC)c1F)C(C)C
InChIInChI=1S/C16H26FNO/c1-5-11-18-14(12(2)3)10-9-13-7-6-8-15(19-4)16(13)17/h6-8,12,14,18H,5,9-11H2,1-4H3
InChIKeyKAQLRVASVDJFCN-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 104793996
1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 63400119
5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 104795127
1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine
CID 104792687
2-[(2-fluoro-3-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 104791915
N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 104792966
1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105180625
1-(3-chloro-4,4-dimethylpentyl)-2-fluoro-3-methoxybenzene
CID 82812107
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549
4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 104793850

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine (CID 82811862) is 1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine is CCCNC(CCc1cccc(OC)c1F)C(C)C.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine?
The InChIKey is KAQLRVASVDJFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-11-18-14(12(2)3)10-9-13-7-6-8-15(19-4)16(13)17/h6-8,12,14,18H,5,9-11H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine?
1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine has a molecular weight of 267.39 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 82811862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).