3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine

C15H24FNO — CID 82811080

IUPAC3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCCC(C)(C)c1cccc(OC)c1F
InChIInChI=1S/C15H24FNO/c1-5-10-17-11-9-15(2,3)12-7-6-8-13(18-4)14(12)16/h6-8,17H,5,9-11H2,1-4H3
InChIKeyRLQAXKMTRDBADP-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.50
Rot. Bonds7

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

3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 82811080) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
PubChem CID82811080
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCCC(C)(C)c1cccc(OC)c1F
InChIInChI=1S/C15H24FNO/c1-5-10-17-11-9-15(2,3)12-7-6-8-13(18-4)14(12)16/h6-8,17H,5,9-11H2,1-4H3
InChIKeyRLQAXKMTRDBADP-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-2-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 82811754
3-(2,6-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023147
2-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 104794761
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
CID 82805418
2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine
CID 82808256
3-(4-chloro-2-fluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023002
N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 82811010
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
CID 115996414
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
N-ethyl-3-methyl-3-(2,3,4-trifluorophenyl)butan-1-amine
CID 81021760
N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105409446

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine (CID 82811080) is 3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine is CCCNCCC(C)(C)c1cccc(OC)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is RLQAXKMTRDBADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-10-17-11-9-15(2,3)12-7-6-8-13(18-4)14(12)16/h6-8,17H,5,9-11H2,1-4H3.
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine?
3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 82811080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).