4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine

C13H22N2O — CID 106675722

IUPAC4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)Nc1ccccc1
InChIInChI=1S/C13H22N2O/c1-13(2,16-3)9-12(10-14)15-11-7-5-4-6-8-11/h4-8,12,15H,9-10,14H2,1-3H3
InChIKeyDELJCQLQNOIYMI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.24
Rot. Bonds6

About 4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine

4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine (PubChem CID 106675722) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine
PubChem CID106675722
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)Nc1ccccc1
InChIInChI=1S/C13H22N2O/c1-13(2,16-3)9-12(10-14)15-11-7-5-4-6-8-11/h4-8,12,15H,9-10,14H2,1-3H3
InChIKeyDELJCQLQNOIYMI-UHFFFAOYSA-N
XLogP2.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine 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-N-(4-bromophenyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675740
4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 106675725
4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol
CID 106676183
4-methoxy-2-(4-methoxyanilino)-4-methylpentan-1-ol
CID 106676177
methyl 2-anilino-4,4-dimethylpentanoate
CID 55156393
(3-methoxy-3-methyl-1-phenylbutyl)hydrazine
CID 103025167
2-(benzylamino)-4-methoxy-4-methylpentan-1-ol
CID 106676174
4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
(2S)-3-methyl-2-N-phenylbutane-1,2-diamine
CID 25323651
2-methoxy-1-N'-phenylethane-1,1-diamine
CID 139645747
2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
CID 65376487
2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
CID 111465545

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine?
The IUPAC name of 4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine (CID 106675722) is 4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine?
The canonical SMILES for 4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine is COC(C)(C)CC(CN)Nc1ccccc1.
What is the InChIKey of 4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine?
The InChIKey is DELJCQLQNOIYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,16-3)9-12(10-14)15-11-7-5-4-6-8-11/h4-8,12,15H,9-10,14H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine?
4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine is sourced from PubChem (CID 106675722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).