1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine

C18H22FNO — CID 43770232

IUPAC1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine
SMILESCOc1cc(C)ccc1C(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-12-8-9-17(18(10-12)21-4)14(3)20-13(2)15-6-5-7-16(19)11-15/h5-11,13-14,20H,1-4H3
InChIKeyFEWKJOYLMKKLMV-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.55
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine

1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine (PubChem CID 43770232) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine
PubChem CID43770232
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine
SMILESCOc1cc(C)ccc1C(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-12-8-9-17(18(10-12)21-4)14(3)20-13(2)15-6-5-7-16(19)11-15/h5-11,13-14,20H,1-4H3
InChIKeyFEWKJOYLMKKLMV-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine 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

(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81352935
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43095447
(1S)-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344839
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43406776
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81371308
1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43770306
2-[1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81368438
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81367633

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine (CID 43770232) is 1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine is COc1cc(C)ccc1C(C)NC(C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine?
The InChIKey is FEWKJOYLMKKLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-8-9-17(18(10-12)21-4)14(3)20-13(2)15-6-5-7-16(19)11-15/h5-11,13-14,20H,1-4H3.
What are the key properties of 1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine?
1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 43770232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).