N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine

C18H22FN — CID 107129437

IUPACN-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine
SMILESCCNC(CCc1ccc(C)c(F)c1)c1ccccc1
InChIInChI=1S/C18H22FN/c1-3-20-18(16-7-5-4-6-8-16)12-11-15-10-9-14(2)17(19)13-15/h4-10,13,18,20H,3,11-12H2,1-2H3
InChIKeyXPBXLQYFVOTUQK-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.42
Rot. Bonds6

About N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine

N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine (PubChem CID 107129437) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine
PubChem CID107129437
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine
SMILESCCNC(CCc1ccc(C)c(F)c1)c1ccccc1
InChIInChI=1S/C18H22FN/c1-3-20-18(16-7-5-4-6-8-16)12-11-15-10-9-14(2)17(19)13-15/h4-10,13,18,20H,3,11-12H2,1-2H3
InChIKeyXPBXLQYFVOTUQK-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 64501624
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400239
N-ethyl-3-(2-fluoro-4,6-dimethylphenyl)-1-phenylpropan-1-amine
CID 106882518
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115794160
4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 103041652
N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine
CID 64500356
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
N-ethyl-3-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 60996666
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936
1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115793778

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine?
The IUPAC name of N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine (CID 107129437) is N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine is CCNC(CCc1ccc(C)c(F)c1)c1ccccc1.
What is the InChIKey of N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine?
The InChIKey is XPBXLQYFVOTUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-20-18(16-7-5-4-6-8-16)12-11-15-10-9-14(2)17(19)13-15/h4-10,13,18,20H,3,11-12H2,1-2H3.
What are the key properties of N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine?
N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.42, 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-fluoro-4-methylphenyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 107129437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).