2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol

C16H28N2O2 — CID 79668470

IUPAC2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol
SMILESCCCN(Cc1cc(OC)ccc1O)CC(C)(C)CN
InChIInChI=1S/C16H28N2O2/c1-5-8-18(12-16(2,3)11-17)10-13-9-14(20-4)6-7-15(13)19/h6-7,9,19H,5,8,10-12,17H2,1-4H3
InChIKeySYVHUJABZPCMKU-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.60
Rot. Bonds8

About 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol

2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol (PubChem CID 79668470) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol
PubChem CID79668470
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol
SMILESCCCN(Cc1cc(OC)ccc1O)CC(C)(C)CN
InChIInChI=1S/C16H28N2O2/c1-5-8-18(12-16(2,3)11-17)10-13-9-14(20-4)6-7-15(13)19/h6-7,9,19H,5,8,10-12,17H2,1-4H3
InChIKeySYVHUJABZPCMKU-UHFFFAOYSA-N
XLogP2.60
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol 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-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-methoxyphenol
CID 79668627
2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol
CID 79659872
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
N'-[(2,4-dimethoxyphenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660663
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668044
2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methylphenol
CID 79660939
[2-[[ethyl(propyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65322949
2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide
CID 103104516
N'-[[3-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668545
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 102312113

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol (CID 79668470) is 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol is CCCN(Cc1cc(OC)ccc1O)CC(C)(C)CN.
What is the InChIKey of 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol?
The InChIKey is SYVHUJABZPCMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-8-18(12-16(2,3)11-17)10-13-9-14(20-4)6-7-15(13)19/h6-7,9,19H,5,8,10-12,17H2,1-4H3.
What are the key properties of 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol?
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol has a molecular weight of 280.41 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol is sourced from PubChem (CID 79668470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).