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

C16H26FN — CID 105028931

IUPACN-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1cccc(C)c1F
InChIInChI=1S/C16H26FN/c1-5-18-15(11-6-8-12(2)3)14-10-7-9-13(4)16(14)17/h7,9-10,12,15,18H,5-6,8,11H2,1-4H3
InChIKeyDYMWLNRMOFAVKT-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.61
Rot. Bonds7

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

N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine (PubChem CID 105028931) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
PubChem CID105028931
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1cccc(C)c1F
InChIInChI=1S/C16H26FN/c1-5-18-15(11-6-8-12(2)3)14-10-7-9-13(4)16(14)17/h7,9-10,12,15,18H,5-6,8,11H2,1-4H3
InChIKeyDYMWLNRMOFAVKT-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine
CID 115865493
1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834345
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine
CID 105028868
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81477799
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine
CID 114013619
1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 114028349
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine (CID 105028931) is N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine is CCNC(CCCC(C)C)c1cccc(C)c1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine?
The InChIKey is DYMWLNRMOFAVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-5-18-15(11-6-8-12(2)3)14-10-7-9-13(4)16(14)17/h7,9-10,12,15,18H,5-6,8,11H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine?
N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine is sourced from PubChem (CID 105028931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).