N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine

C14H22FN — CID 79443669

IUPACN-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine
SMILESCCNCC(c1ccccc1F)C(C)CC
InChIInChI=1S/C14H22FN/c1-4-11(3)13(10-16-5-2)12-8-6-7-9-14(12)15/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeyPWJWXIMNVZFFIK-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.56
Rot. Bonds6

About N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine

N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine (PubChem CID 79443669) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine
PubChem CID79443669
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine
SMILESCCNCC(c1ccccc1F)C(C)CC
InChIInChI=1S/C14H22FN/c1-4-11(3)13(10-16-5-2)12-8-6-7-9-14(12)15/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeyPWJWXIMNVZFFIK-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-2-(2-fluorophenyl)-3-methylpentan-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

2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66242392
2-(2-ethoxyethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 62105959
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 62851853
4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine
CID 112680293
N-ethyl-2-(2-fluorophenyl)-2-pentoxyethanamine
CID 55036773
N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine
CID 107886995
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine
CID 62454913
2-(2-cyclopropylethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 114157889
N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79439132

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine (CID 79443669) is N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine is CCNCC(c1ccccc1F)C(C)CC.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine?
The InChIKey is PWJWXIMNVZFFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-11(3)13(10-16-5-2)12-8-6-7-9-14(12)15/h6-9,11,13,16H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine?
N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 79443669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).