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

C18H22FN — CID 79440444

IUPACN-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-3-20-13-17(16-8-5-9-18(19)12-16)11-15-7-4-6-14(2)10-15/h4-10,12,17,20H,3,11,13H2,1-2H3
InChIKeyRLIWETQDKYDTFL-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.07
Rot. Bonds6

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

N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine (PubChem CID 79440444) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
PubChem CID79440444
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-3-20-13-17(16-8-5-9-18(19)12-16)11-15-7-4-6-14(2)10-15/h4-10,12,17,20H,3,11,13H2,1-2H3
InChIKeyRLIWETQDKYDTFL-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

3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422309
N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182511
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79440289
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine (CID 79440444) is N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine is CCNCC(Cc1cccc(C)c1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine?
The InChIKey is RLIWETQDKYDTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-20-13-17(16-8-5-9-18(19)12-16)11-15-7-4-6-14(2)10-15/h4-10,12,17,20H,3,11,13H2,1-2H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine?
N-ethyl-2-(3-fluorophenyl)-3-(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-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79440444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).