2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol

C20H25NO — CID 14982716

IUPAC2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol
SMILESCCc1cc(C(C)(C)O)cc2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C20H25NO/c1-4-16-10-18(20(2,3)22)11-17-13-21(14-19(16)17)12-15-8-6-5-7-9-15/h5-11,22H,4,12-14H2,1-3H3
InChIKeyHPHJOTJTPCNVIC-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.99
Rot. Bonds4

About 2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol

2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol (PubChem CID 14982716) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol
PubChem CID14982716
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol
SMILESCCc1cc(C(C)(C)O)cc2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C20H25NO/c1-4-16-10-18(20(2,3)22)11-17-13-21(14-19(16)17)12-15-8-6-5-7-9-15/h5-11,22H,4,12-14H2,1-3H3
InChIKeyHPHJOTJTPCNVIC-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
2-(6-benzyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid
CID 83984399
2-[4-(piperidin-1-ylmethyl)phenyl]propan-2-ol
CID 82166020
(6-benzyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)methanamine
CID 83983946
1-benzyl-4-tert-butylpiperazine
CID 3591937
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254
CID 123628818
CID 123628818
2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
CID 162343848
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride
CID 57431190
2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 154963782
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol?
The IUPAC name of 2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol (CID 14982716) is 2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol?
The canonical SMILES for 2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol is CCc1cc(C(C)(C)O)cc2c1CN(Cc1ccccc1)C2.
What is the InChIKey of 2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol?
The InChIKey is HPHJOTJTPCNVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-4-16-10-18(20(2,3)22)11-17-13-21(14-19(16)17)12-15-8-6-5-7-9-15/h5-11,22H,4,12-14H2,1-3H3.
What are the key properties of 2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol?
2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol has a molecular weight of 295.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-7-ethyl-1,3-dihydroisoindol-5-yl)propan-2-ol is sourced from PubChem (CID 14982716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).