2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine

C14H23NO — CID 116962203

IUPAC2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1cc(C)c(C(C)(C)CN)c(C)c1C
InChIInChI=1S/C14H23NO/c1-9-7-12(16-6)10(2)11(3)13(9)14(4,5)8-15/h7H,8,15H2,1-6H3
InChIKeyJCZYLCZFSNHUHI-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.86
Rot. Bonds3

About 2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine

2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine (PubChem CID 116962203) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
PubChem CID116962203
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1cc(C)c(C(C)(C)CN)c(C)c1C
InChIInChI=1S/C14H23NO/c1-9-7-12(16-6)10(2)11(3)13(9)14(4,5)8-15/h7H,8,15H2,1-6H3
InChIKeyJCZYLCZFSNHUHI-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
CID 115168853
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846
2-N-(4-methoxy-2,3,6-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131845
1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol
CID 83958837
2-(2,5-dimethoxy-3,6-dimethylphenyl)propan-2-amine
CID 117320504
N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine
CID 115225481
N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115200085
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropan-1-amine
CID 82286744
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 82287187
3-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3-methylbutanoic acid
CID 117430031
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
CID 115243925

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine (CID 116962203) is 2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine is COc1cc(C)c(C(C)(C)CN)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine?
The InChIKey is JCZYLCZFSNHUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9-7-12(16-6)10(2)11(3)13(9)14(4,5)8-15/h7H,8,15H2,1-6H3.
What are the key properties of 2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine?
2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 116962203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).