N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine

C15H24FN — CID 114013619

IUPACN-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cccc(C)c1F
InChIInChI=1S/C15H24FN/c1-5-8-12(4)15(17-6-2)13-10-7-9-11(3)14(13)16/h7,9-10,12,15,17H,5-6,8H2,1-4H3
InChIKeyCNPMKRUVCSMKEQ-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.22
Rot. Bonds6

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

N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine (PubChem CID 114013619) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine
PubChem CID114013619
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cccc(C)c1F
InChIInChI=1S/C15H24FN/c1-5-8-12(4)15(17-6-2)13-10-7-9-11(3)14(13)16/h7,9-10,12,15,17H,5-6,8H2,1-4H3
InChIKeyCNPMKRUVCSMKEQ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine
CID 107893373
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 79724625
N-ethyl-2-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115850903
N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 81478017
N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
CID 105028931
1-(2-bromo-3-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 107984697
1-(2-chlorofuran-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893430
1-(3-bromo-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 107893537
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717972
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 106878270

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine (CID 114013619) is N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine is CCCC(C)C(NCC)c1cccc(C)c1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine?
The InChIKey is CNPMKRUVCSMKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-8-12(4)15(17-6-2)13-10-7-9-11(3)14(13)16/h7,9-10,12,15,17H,5-6,8H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine?
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.22, 6 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)-2-methylpentan-1-amine is sourced from PubChem (CID 114013619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).