[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol

C13H20N2O — CID 107229692

IUPAC[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
SMILESOCc1cccc(CNCC2CCCN2)c1
InChIInChI=1S/C13H20N2O/c16-10-12-4-1-3-11(7-12)8-14-9-13-5-2-6-15-13/h1,3-4,7,13-16H,2,5-6,8-10H2
InChIKeyDUSNDLGJKNQMGB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.02
Rot. Bonds5

About [3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol

[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol (PubChem CID 107229692) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
PubChem CID107229692
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
SMILESOCc1cccc(CNCC2CCCN2)c1
InChIInChI=1S/C13H20N2O/c16-10-12-4-1-3-11(7-12)8-14-9-13-5-2-6-15-13/h1,3-4,7,13-16H,2,5-6,8-10H2
InChIKeyDUSNDLGJKNQMGB-UHFFFAOYSA-N
XLogP1.02
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
1-[(2R)-piperidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97178382
N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine
CID 139506324
[3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]phenyl]methanol
CID 107230384
N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208258
1-(furan-2-yl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]ethanone
CID 97165678

Frequently Asked Questions

What is the IUPAC name of [3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol?
The IUPAC name of [3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol (CID 107229692) is [3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol is OCc1cccc(CNCC2CCCN2)c1.
What is the InChIKey of [3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol?
The InChIKey is DUSNDLGJKNQMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-10-12-4-1-3-11(7-12)8-14-9-13-5-2-6-15-13/h1,3-4,7,13-16H,2,5-6,8-10H2.
What are the key properties of [3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol?
[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol has a molecular weight of 220.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107229692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).