3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine

C18H23NO — CID 82141632

IUPAC3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine
SMILESCOc1ccc(C)cc1CC(C)(CN)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14-9-10-17(20-3)15(11-14)12-18(2,13-19)16-7-5-4-6-8-16/h4-11H,12-13,19H2,1-3H3
InChIKeyJRDANNSMABNUDA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.46
Rot. Bonds5

About 3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine

3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 82141632) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine
PubChem CID82141632
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine
SMILESCOc1ccc(C)cc1CC(C)(CN)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14-9-10-17(20-3)15(11-14)12-18(2,13-19)16-7-5-4-6-8-16/h4-11H,12-13,19H2,1-3H3
InChIKeyJRDANNSMABNUDA-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 112566938
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
CID 83075942
2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene
CID 83153060
CID 22216223
CID 22216223
4-(2-methoxyphenoxy)-2-methyl-2-phenylbutan-1-amine
CID 82138274
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149
N-(1-amino-2-methylpropan-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 110832873
1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
CID 80557783
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701596

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine (CID 82141632) is 3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine is COc1ccc(C)cc1CC(C)(CN)c1ccccc1.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is JRDANNSMABNUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-9-10-17(20-3)15(11-14)12-18(2,13-19)16-7-5-4-6-8-16/h4-11H,12-13,19H2,1-3H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine?
3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 82141632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).