1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine

C18H22FNO — CID 114347101

IUPAC1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(N)Cc2ccc(F)cc2C)cc1
InChIInChI=1S/C18H22FNO/c1-13-10-16(19)7-6-15(13)12-18(2,20)11-14-4-8-17(21-3)9-5-14/h4-10H,11-12,20H2,1-3H3
InChIKeySMGYTCLLSPOOJK-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine

1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 114347101) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID114347101
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(N)Cc2ccc(F)cc2C)cc1
InChIInChI=1S/C18H22FNO/c1-13-10-16(19)7-6-15(13)12-18(2,20)11-14-4-8-17(21-3)9-5-14/h4-10H,11-12,20H2,1-3H3
InChIKeySMGYTCLLSPOOJK-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-(3-bromo-4-fluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 63273009
1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833840
1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 114931245
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 65477669
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114853577
4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 95983001
3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine
CID 114347085
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 114346991

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine (CID 114347101) is 1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine is COc1ccc(CC(C)(N)Cc2ccc(F)cc2C)cc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is SMGYTCLLSPOOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13-10-16(19)7-6-15(13)12-18(2,20)11-14-4-8-17(21-3)9-5-14/h4-10H,11-12,20H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 114347101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).