3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine

C17H28FN — CID 63416460

IUPAC3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1cc(F)ccc1C
InChIInChI=1S/C17H28FN/c1-5-7-8-14(6-2)11-17(19-4)16-12-15(18)10-9-13(16)3/h9-10,12,14,17,19H,5-8,11H2,1-4H3
InChIKeyTVLDHKRZBXHQKX-UHFFFAOYSA-N
MW265.42 g/mol
LogP5.00
Rot. Bonds8

About 3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine

3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine (PubChem CID 63416460) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
PubChem CID63416460
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1cc(F)ccc1C
InChIInChI=1S/C17H28FN/c1-5-7-8-14(6-2)11-17(19-4)16-12-15(18)10-9-13(16)3/h9-10,12,14,17,19H,5-8,11H2,1-4H3
InChIKeyTVLDHKRZBXHQKX-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-ethyl-N-methylheptan-1-amine
CID 115806267
1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 63419888
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277
1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806713
1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105102919
3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 115805825
1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
CID 63416508
4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 105142408
1-(2-bromo-4-fluorophenyl)-N,3-diethylheptan-1-amine
CID 115806017
5,5,5-trifluoro-1-(5-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 115516592
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine?
The IUPAC name of 3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine (CID 63416460) is 3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine.
What is the SMILES notation for 3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine?
The canonical SMILES for 3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine is CCCCC(CC)CC(NC)c1cc(F)ccc1C.
What is the InChIKey of 3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine?
The InChIKey is TVLDHKRZBXHQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-5-7-8-14(6-2)11-17(19-4)16-12-15(18)10-9-13(16)3/h9-10,12,14,17,19H,5-8,11H2,1-4H3.
What are the key properties of 3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine?
3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine is sourced from PubChem (CID 63416460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).