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

C18H22FN — CID 63086405

IUPAC1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCNC(c1ccc(F)cc1C)C(C)(C)c1ccccc1
InChIInChI=1S/C18H22FN/c1-13-12-15(19)10-11-16(13)17(20-4)18(2,3)14-8-6-5-7-9-14/h5-12,17,20H,1-4H3
InChIKeyHHEJWPQKPDXWCZ-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.37
Rot. Bonds4

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

1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine (PubChem CID 63086405) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
PubChem CID63086405
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCNC(c1ccc(F)cc1C)C(C)(C)c1ccccc1
InChIInChI=1S/C18H22FN/c1-13-12-15(19)10-11-16(13)17(20-4)18(2,3)14-8-6-5-7-9-14/h5-12,17,20H,1-4H3
InChIKeyHHEJWPQKPDXWCZ-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-(4-fluoro-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62789845
1-(3-fluoro-4-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 107128707
1-(2-fluoro-4,6-dimethylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 106881494
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 105216447
1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene
CID 63433916
1-(4-fluoro-2-methylphenyl)-3-methyl-3-phenylbutan-2-ol
CID 114347441
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 43487653
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852431
[1-(3-fluoro-4-methylphenyl)-2-methyl-2-phenylpropyl]hydrazine
CID 107130751
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
1-N-ethyl-1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053416

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine (CID 63086405) is 1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine is CNC(c1ccc(F)cc1C)C(C)(C)c1ccccc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
The InChIKey is HHEJWPQKPDXWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-12-15(19)10-11-16(13)17(20-4)18(2,3)14-8-6-5-7-9-14/h5-12,17,20H,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine?
1-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine is sourced from PubChem (CID 63086405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).