[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol

C14H21NO — CID 102788811

IUPAC[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1cccc(CN2CCC(C)C2CO)c1
InChIInChI=1S/C14H21NO/c1-11-4-3-5-13(8-11)9-15-7-6-12(2)14(15)10-16/h3-5,8,12,14,16H,6-7,9-10H2,1-2H3
InChIKeyZZZPDZNVDPOHEM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.20
Rot. Bonds3

About [3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 102788811) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID102788811
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1cccc(CN2CCC(C)C2CO)c1
InChIInChI=1S/C14H21NO/c1-11-4-3-5-13(8-11)9-15-7-6-12(2)14(15)10-16/h3-5,8,12,14,16H,6-7,9-10H2,1-2H3
InChIKeyZZZPDZNVDPOHEM-UHFFFAOYSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788535
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788914
3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 143494865
[1-[(3-amino-4-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777799
[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787791
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777626
1-[(3-bromophenyl)methyl]-2-(chloromethyl)-3-methylpyrrolidine
CID 102784977
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788246
[1-[(3-amino-5-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103350027

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol (CID 102788811) is [3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol is Cc1cccc(CN2CCC(C)C2CO)c1.
What is the InChIKey of [3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ZZZPDZNVDPOHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-3-5-13(8-11)9-15-7-6-12(2)14(15)10-16/h3-5,8,12,14,16H,6-7,9-10H2,1-2H3.
What are the key properties of [3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).