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

C15H24N2O — CID 62629452

IUPAC[1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol
SMILESCc1ccccc1C(N)CCN1CCCC1CO
InChIInChI=1S/C15H24N2O/c1-12-5-2-3-7-14(12)15(16)8-10-17-9-4-6-13(17)11-18/h2-3,5,7,13,15,18H,4,6,8-11,16H2,1H3
InChIKeyJIMCGBUWOLSNIR-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.84
Rot. Bonds5

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

[1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol (PubChem CID 62629452) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol
PubChem CID62629452
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol
SMILESCc1ccccc1C(N)CCN1CCCC1CO
InChIInChI=1S/C15H24N2O/c1-12-5-2-3-7-14(12)15(16)8-10-17-9-4-6-13(17)11-18/h2-3,5,7,13,15,18H,4,6,8-11,16H2,1H3
InChIKeyJIMCGBUWOLSNIR-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine
CID 62888334
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 62629485
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(2-methylphenyl)propan-1-ol
CID 62624367
1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol
CID 114681980
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379
3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 83221213
[1-[3-(2-chlorophenyl)-3-(methylamino)propyl]azepan-2-yl]methanol
CID 116638092
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
[1-[3-amino-3-(2-bromophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789551
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
[1-[2-amino-1-(2-methylphenyl)butyl]azepan-2-yl]methanol
CID 116634160

Frequently Asked Questions

What is the IUPAC name of [1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol (CID 62629452) is [1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol is Cc1ccccc1C(N)CCN1CCCC1CO.
What is the InChIKey of [1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol?
The InChIKey is JIMCGBUWOLSNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-2-3-7-14(12)15(16)8-10-17-9-4-6-13(17)11-18/h2-3,5,7,13,15,18H,4,6,8-11,16H2,1H3.
What are the key properties of [1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol?
[1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol has a molecular weight of 248.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62629452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).