1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine

C18H22FN — CID 107128707

IUPAC1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCNC(c1ccc(C)c(F)c1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H22FN/c1-13-10-11-14(12-16(13)19)17(20-4)18(2,3)15-8-6-5-7-9-15/h5-12,17,20H,1-4H3
InChIKeyYUSYSFXPYRQEOW-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.37
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine

1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine (PubChem CID 107128707) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
PubChem CID107128707
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCNC(c1ccc(C)c(F)c1)C(C)(C)c1ccccc1
InChIInChI=1S/C18H22FN/c1-13-10-11-14(12-16(13)19)17(20-4)18(2,3)15-8-6-5-7-9-15/h5-12,17,20H,1-4H3
InChIKeyYUSYSFXPYRQEOW-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-fluoro-4-methylphenyl)-2-methyl-2-phenylpropyl]hydrazine
CID 107130751
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 43487653
1-(2-fluoro-4,6-dimethylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 106881494
1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 63086405
N,2-dimethyl-1-(6-methyl-3-pyridinyl)-2-phenylpropan-1-amine
CID 55164089
[1-(3-chloro-4-methylphenyl)-2-methyl-2-phenylpropyl]hydrazine
CID 107562330
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
1-(4-fluoro-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62394130
1-(3-fluoro-4-methylphenyl)-2-phenylpropan-1-ol
CID 107128049
1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 107130321
[1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropyl]hydrazine
CID 105223652
N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 66205361

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine (CID 107128707) is 1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine is CNC(c1ccc(C)c(F)c1)C(C)(C)c1ccccc1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
The InChIKey is YUSYSFXPYRQEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-10-11-14(12-16(13)19)17(20-4)18(2,3)15-8-6-5-7-9-15/h5-12,17,20H,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine is sourced from PubChem (CID 107128707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).