4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol

C16H26N2O — CID 64786243

IUPAC4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1Cc2ccccc2C1
InChIInChI=1S/C16H26N2O/c1-3-9-17-16(2,13-19)8-10-18-11-14-6-4-5-7-15(14)12-18/h4-7,17,19H,3,8-13H2,1-2H3
InChIKeyGAOFRUZWXQLBER-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.14
Rot. Bonds7

About 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol

4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 64786243) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol
PubChem CID64786243
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1Cc2ccccc2C1
InChIInChI=1S/C16H26N2O/c1-3-9-17-16(2,13-19)8-10-18-11-14-6-4-5-7-15(14)12-18/h4-7,17,19H,3,8-13H2,1-2H3
InChIKeyGAOFRUZWXQLBER-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)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

6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789156
4-(2,3-dihydroindol-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64796687
2-(cyclopropylamino)-4-(1,3-dihydroisoindol-2-yl)-2-methylbutan-1-ol
CID 64788187
4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butanoic acid
CID 62230995
2-methyl-4-morpholin-4-yl-2-(propylamino)butan-1-ol
CID 64795842
2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
CID 64825876
4-(2,3-dihydroindol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
CID 64796909
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]propan-1-amine
CID 62204668
4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64795537
6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64786440
2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
CID 64798009
5-(N-ethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64795890

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol (CID 64786243) is 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCN1Cc2ccccc2C1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is GAOFRUZWXQLBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-9-17-16(2,13-19)8-10-18-11-14-6-4-5-7-15(14)12-18/h4-7,17,19H,3,8-13H2,1-2H3.
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol?
4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64786243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).