1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine

C14H24N2O — CID 79680205

IUPAC1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine
SMILESCc1ccc(CN)c(OCC(C)(C)N(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11-6-7-12(9-15)13(8-11)17-10-14(2,3)16(4)5/h6-8H,9-10,15H2,1-5H3
InChIKeyPGEUGDGCAPDBDQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.17
Rot. Bonds5

About 1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine

1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 79680205) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine
PubChem CID79680205
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine
SMILESCc1ccc(CN)c(OCC(C)(C)N(C)C)c1
InChIInChI=1S/C14H24N2O/c1-11-6-7-12(9-15)13(8-11)17-10-14(2,3)16(4)5/h6-8H,9-10,15H2,1-5H3
InChIKeyPGEUGDGCAPDBDQ-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine 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-[2-(aminomethyl)-5-methylphenoxy]acetonitrile
CID 82503453
2-[2-(dimethylamino)-2-methylpropoxy]-5-methylbenzoic acid
CID 79680211
[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 63456891
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
[2-(4-tert-butyl-2-methylphenoxy)-4-methylphenyl]methanamine
CID 63456905
[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
[2-(2-methoxyphenoxy)-4-methylphenyl]methanamine
CID 62306948
1-(2-methoxyphenoxy)-N,N,2-trimethylpropan-2-amine
CID 67415487
1-amino-3-(2-chloro-5-methylphenoxy)-2-methylpropan-2-ol
CID 82023075
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol
CID 62306971

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine (CID 79680205) is 1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine is Cc1ccc(CN)c(OCC(C)(C)N(C)C)c1.
What is the InChIKey of 1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is PGEUGDGCAPDBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-6-7-12(9-15)13(8-11)17-10-14(2,3)16(4)5/h6-8H,9-10,15H2,1-5H3.
What are the key properties of 1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine?
1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79680205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).