2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol

C14H24N2O2 — CID 83936851

IUPAC2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol
SMILESCCCOc1ccc(C(O)C(N)CCN)c(C)c1
InChIInChI=1S/C14H24N2O2/c1-3-8-18-11-4-5-12(10(2)9-11)14(17)13(16)6-7-15/h4-5,9,13-14,17H,3,6-8,15-16H2,1-2H3
InChIKeyAFRKQWMMYIEMPQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.49
Rot. Bonds7

About 2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol

2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol (PubChem CID 83936851) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol
PubChem CID83936851
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol
SMILESCCCOc1ccc(C(O)C(N)CCN)c(C)c1
InChIInChI=1S/C14H24N2O2/c1-3-8-18-11-4-5-12(10(2)9-11)14(17)13(16)6-7-15/h4-5,9,13-14,17H,3,6-8,15-16H2,1-2H3
InChIKeyAFRKQWMMYIEMPQ-UHFFFAOYSA-N
XLogP1.49
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol 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-(2-methyl-4-propoxyphenyl)butyl]propane-1,3-diamine
CID 83936840
2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 83927786
1,2-dimethyl-4-propoxybenzene
CID 23549082
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-(2,4-dipropoxyphenyl)butan-1-amine
CID 82551376
2-amino-5-(4-ethoxy-2-methylphenyl)hexan-3-ol
CID 83936683
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol
CID 83933377
1-(2-fluoro-5-propoxyphenyl)butan-1-amine
CID 83988799
2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol
CID 83939948
1-[(Z)-hex-4-en-2-yl]-2-methyl-4-propoxybenzene
CID 83936914
(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 139820128

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol?
The IUPAC name of 2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol (CID 83936851) is 2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol.
What is the SMILES notation for 2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol?
The canonical SMILES for 2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol is CCCOc1ccc(C(O)C(N)CCN)c(C)c1.
What is the InChIKey of 2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol?
The InChIKey is AFRKQWMMYIEMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-8-18-11-4-5-12(10(2)9-11)14(17)13(16)6-7-15/h4-5,9,13-14,17H,3,6-8,15-16H2,1-2H3.
What are the key properties of 2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol?
2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol is sourced from PubChem (CID 83936851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).