N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine

C16H26FN — CID 82923467

IUPACN,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(F)cc1C
InChIInChI=1S/C16H26FN/c1-5-13(6-2)11-16(18-7-3)15-9-8-14(17)10-12(15)4/h8-10,13,16,18H,5-7,11H2,1-4H3
InChIKeyRFHIWGQTOLCTPZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.61
Rot. Bonds7

About N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine

N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine (PubChem CID 82923467) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
PubChem CID82923467
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(F)cc1C
InChIInChI=1S/C16H26FN/c1-5-13(6-2)11-16(18-7-3)15-9-8-14(17)10-12(15)4/h8-10,13,16,18H,5-7,11H2,1-4H3
InChIKeyRFHIWGQTOLCTPZ-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

Analyze N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277
1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376
N-ethyl-2-(4-ethylphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81269216
N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine
CID 81276354
4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine
CID 105142729
2-(3,4-difluorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82910596
1-(2-bromo-4-fluorophenyl)-N,3-diethylheptan-1-amine
CID 115806017
N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62790553
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 82922285
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 103149759
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81269079
1-(2,5-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
CID 82922427

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine?
The IUPAC name of N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine (CID 82923467) is N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine?
The canonical SMILES for N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine is CCNC(CC(CC)CC)c1ccc(F)cc1C.
What is the InChIKey of N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine?
The InChIKey is RFHIWGQTOLCTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-5-13(6-2)11-16(18-7-3)15-9-8-14(17)10-12(15)4/h8-10,13,16,18H,5-7,11H2,1-4H3.
What are the key properties of N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine?
N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-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,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine is sourced from PubChem (CID 82923467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).