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

C18H22FN — CID 115791800

IUPACN-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ccccc1CC
InChIInChI=1S/C18H22FN/c1-3-12-20-18(15-9-7-10-16(19)13-15)17-11-6-5-8-14(17)4-2/h5-11,13,18,20H,3-4,12H2,1-2H3
InChIKeyISKUGZPSCUTOQC-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.48
Rot. Bonds6

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

N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 115791800) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
PubChem CID115791800
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1ccccc1CC
InChIInChI=1S/C18H22FN/c1-3-12-20-18(15-9-7-10-16(19)13-15)17-11-6-5-8-14(17)4-2/h5-11,13,18,20H,3-4,12H2,1-2H3
InChIKeyISKUGZPSCUTOQC-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115791989
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 82741174
N-[(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791844
N-[(3-bromo-2-methylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791846
N-[(2,5-dibromophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43495338
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 115801024
N-[(3,6-dimethylpyridazin-4-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 105093062
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 106878531
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine (CID 115791800) is N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1ccccc1CC.
What is the InChIKey of N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is ISKUGZPSCUTOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-12-20-18(15-9-7-10-16(19)13-15)17-11-6-5-8-14(17)4-2/h5-11,13,18,20H,3-4,12H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine?
N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115791800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).