[5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol

C14H22N2O — CID 130972771

IUPAC[5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C(CO)CCC1CNCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-16-13(7-8-14(16)11-17)10-15-9-12-5-3-2-4-6-12/h2-6,13-15,17H,7-11H2,1H3
InChIKeyBFBGNELPAWADKK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.23
Rot. Bonds5

About [5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol

[5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol (PubChem CID 130972771) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol
PubChem CID130972771
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C(CO)CCC1CNCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-16-13(7-8-14(16)11-17)10-15-9-12-5-3-2-4-6-12/h2-6,13-15,17H,7-11H2,1H3
InChIKeyBFBGNELPAWADKK-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine
CID 3072413
(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine
CID 44598246
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
ethyl 3-[2-[(benzylamino)methyl]pyrrolidin-1-yl]propanoate
CID 58861501
4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 71255191
N-benzyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 126827020
benzaldehyde;N-benzyl-1-cyclopropylmethanamine
CID 158539783
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711

Frequently Asked Questions

What is the IUPAC name of [5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol (CID 130972771) is [5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol is CN1C(CO)CCC1CNCc1ccccc1.
What is the InChIKey of [5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is BFBGNELPAWADKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-13(7-8-14(16)11-17)10-15-9-12-5-3-2-4-6-12/h2-6,13-15,17H,7-11H2,1H3.
What are the key properties of [5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol?
[5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 130972771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).