2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine

C14H23NO — CID 117108057

IUPAC2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1C(C)(C)COC
InChIInChI=1S/C14H23NO/c1-14(2,11-16-4)13-8-6-5-7-12(13)9-10-15-3/h5-8,15H,9-11H2,1-4H3
InChIKeyBXKNSMDZKOZLSF-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.37
Rot. Bonds6

About 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine

2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine (PubChem CID 117108057) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine
PubChem CID117108057
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1C(C)(C)COC
InChIInChI=1S/C14H23NO/c1-14(2,11-16-4)13-8-6-5-7-12(13)9-10-15-3/h5-8,15H,9-11H2,1-4H3
InChIKeyBXKNSMDZKOZLSF-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine
CID 117110840
3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117107937
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone
CID 117108291
N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine
CID 113314819
2-(1-methoxy-2-methylpropan-2-yl)benzonitrile
CID 115110865
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
2-(methoxymethyl)-6-[2-(methylamino)ethyl]phenol
CID 83879381
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-N-methylethanamine
CID 117330502
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
N-(2-methoxy-2-methylpropyl)-2-[2-(methylamino)ethyl]benzamide
CID 104761286
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine (CID 117108057) is 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine is CNCCc1ccccc1C(C)(C)COC.
What is the InChIKey of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine?
The InChIKey is BXKNSMDZKOZLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,11-16-4)13-8-6-5-7-12(13)9-10-15-3/h5-8,15H,9-11H2,1-4H3.
What are the key properties of 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine?
2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 117108057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).