N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine

C18H22FN — CID 114871625

IUPACN-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCc1ccccc1CNC(CC)c1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-3-14-8-5-6-9-16(14)13-20-18(4-2)15-10-7-11-17(19)12-15/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyADLUWCQZJWZOJD-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.63
Rot. Bonds6

About N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine

N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114871625) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
PubChem CID114871625
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCc1ccccc1CNC(CC)c1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-3-14-8-5-6-9-16(14)13-20-18(4-2)15-10-7-11-17(19)12-15/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyADLUWCQZJWZOJD-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-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

N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438
N-(1,3-benzodioxol-4-ylmethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871455
1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114871373
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871791
N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871542
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
4-[1-[(2-ethylphenyl)methylamino]propyl]phenol
CID 64680918
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 102612860
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871093
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678
N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylpropan-1-amine
CID 62305224

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine (CID 114871625) is N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine is CCc1ccccc1CNC(CC)c1cccc(F)c1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is ADLUWCQZJWZOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-14-8-5-6-9-16(14)13-20-18(4-2)15-10-7-11-17(19)12-15/h5-12,18,20H,3-4,13H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114871625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).