1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C15H21NO — CID 82857000

IUPAC1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCc1cccc(CC2(O)CCN3CCCC32)c1
InChIInChI=1S/C15H21NO/c1-12-4-2-5-13(10-12)11-15(17)7-9-16-8-3-6-14(15)16/h2,4-5,10,14,17H,3,6-9,11H2,1H3
InChIKeyMCLVLTWWFBLYQF-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.14
Rot. Bonds2

About 1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82857000) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82857000
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCc1cccc(CC2(O)CCN3CCCC32)c1
InChIInChI=1S/C15H21NO/c1-12-4-2-5-13(10-12)11-15(17)7-9-16-8-3-6-14(15)16/h2,4-5,10,14,17H,3,6-9,11H2,1H3
InChIKeyMCLVLTWWFBLYQF-UHFFFAOYSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856895
1-(3-phenylpropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855864
(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 27234418
1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60797806
2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
CID 81314321
4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65085894
1-[(2-bromo-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856124
1-[(2-bromo-5-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855647
4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65084703
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855728
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65090870
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82857000) is 1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is Cc1cccc(CC2(O)CCN3CCCC32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is MCLVLTWWFBLYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-4-2-5-13(10-12)11-15(17)7-9-16-8-3-6-14(15)16/h2,4-5,10,14,17H,3,6-9,11H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82857000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).