N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine

C18H22FN — CID 79417898

IUPACN-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C18H22FN/c1-3-20-13-17(15-9-6-7-14(2)11-15)12-16-8-4-5-10-18(16)19/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeySHBCHSFKJPSANR-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.07
Rot. Bonds6

About N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine

N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine (PubChem CID 79417898) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
PubChem CID79417898
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C18H22FN/c1-3-20-13-17(15-9-6-7-14(2)11-15)12-16-8-4-5-10-18(16)19/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeySHBCHSFKJPSANR-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-fluorophenyl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 79422729
3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422309
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79417456
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine (CID 79417898) is N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine is CCNCC(Cc1ccccc1F)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine?
The InChIKey is SHBCHSFKJPSANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-20-13-17(15-9-6-7-14(2)11-15)12-16-8-4-5-10-18(16)19/h4-11,17,20H,3,12-13H2,1-2H3.
What are the key properties of N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine?
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79417898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).