1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine

C13H21NO — CID 57135698

IUPAC1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1cccc(C(C)(C)C)c1OC
InChIInChI=1S/C13H21NO/c1-13(2,3)11-8-6-7-10(9-14-4)12(11)15-5/h6-8,14H,9H2,1-5H3
InChIKeyDXCITXXXOKMDTJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.71
Rot. Bonds3

About 1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine

1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine (PubChem CID 57135698) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine
PubChem CID57135698
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1cccc(C(C)(C)C)c1OC
InChIInChI=1S/C13H21NO/c1-13(2,3)11-8-6-7-10(9-14-4)12(11)15-5/h6-8,14H,9H2,1-5H3
InChIKeyDXCITXXXOKMDTJ-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-tert-butyl-2-methoxyphenyl)acetic acid
CID 21199434
3-tert-butyl-2-methoxybenzonitrile
CID 10397629
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide
CID 134840619
2-(3-ethyl-2-methoxyphenyl)propan-2-amine
CID 117284071
1-tert-butyl-2-methoxy-3-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]benzene
CID 139965187
1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952135
1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
CID 58817173
N'-[2-methoxy-3-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70132570
N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide
CID 67640035
1-[2-(4,4-dimethylpentoxy)-3-methylphenyl]-N-methylmethanamine
CID 114209330
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine (CID 57135698) is 1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine is CNCc1cccc(C(C)(C)C)c1OC.
What is the InChIKey of 1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is DXCITXXXOKMDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)11-8-6-7-10(9-14-4)12(11)15-5/h6-8,14H,9H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine?
1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 57135698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).