1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol

C12H18N2O2 — CID 116942558

IUPAC1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
SMILESNCC(O)C(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H18N2O2/c13-7-10(15)12(14)9-3-4-11-8(6-9)2-1-5-16-11/h3-4,6,10,12,15H,1-2,5,7,13-14H2
InChIKeyGLZGBSKKFIIHIM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.33
Rot. Bonds3

About 1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol

1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol (PubChem CID 116942558) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol.

Molecular Properties

Compound Name1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
PubChem CID116942558
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
SMILESNCC(O)C(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H18N2O2/c13-7-10(15)12(14)9-3-4-11-8(6-9)2-1-5-16-11/h3-4,6,10,12,15H,1-2,5,7,13-14H2
InChIKeyGLZGBSKKFIIHIM-UHFFFAOYSA-N
XLogP0.33
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-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-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
3,4-diamino-4-(3,4-dihydro-2H-chromen-6-yl)butanoic acid
CID 116942828
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 116942432
6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene
CID 55199306
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 116936978
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one
CID 116826629

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol?
The IUPAC name of 1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol (CID 116942558) is 1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol.
What is the SMILES notation for 1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol?
The canonical SMILES for 1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol is NCC(O)C(N)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol?
The InChIKey is GLZGBSKKFIIHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-7-10(15)12(14)9-3-4-11-8(6-9)2-1-5-16-11/h3-4,6,10,12,15H,1-2,5,7,13-14H2.
What are the key properties of 1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol?
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol has a molecular weight of 222.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol is sourced from PubChem (CID 116942558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).