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

C18H22FN — CID 79420915

IUPACN-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(F)c1)c1ccccc1C
InChIInChI=1S/C18H22FN/c1-3-20-13-16(18-10-5-4-7-14(18)2)11-15-8-6-9-17(19)12-15/h4-10,12,16,20H,3,11,13H2,1-2H3
InChIKeyKVUUKTWVNWJTOI-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.07
Rot. Bonds6

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

N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine (PubChem CID 79420915) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
PubChem CID79420915
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(F)c1)c1ccccc1C
InChIInChI=1S/C18H22FN/c1-3-20-13-16(18-10-5-4-7-14(18)2)11-15-8-6-9-17(19)12-15/h4-10,12,16,20H,3,11,13H2,1-2H3
InChIKeyKVUUKTWVNWJTOI-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-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421243
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 79436436
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
CID 79436045
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 103041125
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine
CID 82929523
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine (CID 79420915) is N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine is CCNCC(Cc1cccc(F)c1)c1ccccc1C.
What is the InChIKey of N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine?
The InChIKey is KVUUKTWVNWJTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-20-13-16(18-10-5-4-7-14(18)2)11-15-8-6-9-17(19)12-15/h4-10,12,16,20H,3,11,13H2,1-2H3.
What are the key properties of N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine?
N-ethyl-3-(3-fluorophenyl)-2-(2-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-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79420915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).