2-[(pyrrolidin-2-ylmethylamino)methyl]phenol

C12H18N2O — CID 103846509

IUPAC2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
SMILESOc1ccccc1CNCC1CCCN1
InChIInChI=1S/C12H18N2O/c15-12-6-2-1-4-10(12)8-13-9-11-5-3-7-14-11/h1-2,4,6,11,13-15H,3,5,7-9H2
InChIKeyBLWRWDSYQPBREM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.23
Rot. Bonds4

About 2-[(pyrrolidin-2-ylmethylamino)methyl]phenol

2-[(pyrrolidin-2-ylmethylamino)methyl]phenol (PubChem CID 103846509) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(pyrrolidin-2-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
PubChem CID103846509
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
SMILESOc1ccccc1CNCC1CCCN1
InChIInChI=1S/C12H18N2O/c15-12-6-2-1-4-10(12)8-13-9-11-5-3-7-14-11/h1-2,4,6,11,13-15H,3,5,7-9H2
InChIKeyBLWRWDSYQPBREM-UHFFFAOYSA-N
XLogP1.23
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
N-(naphthalen-1-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106633869
N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586
2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
CID 115071010
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
CID 107229692
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 115209330

Frequently Asked Questions

What is the IUPAC name of 2-[(pyrrolidin-2-ylmethylamino)methyl]phenol?
The IUPAC name of 2-[(pyrrolidin-2-ylmethylamino)methyl]phenol (CID 103846509) is 2-[(pyrrolidin-2-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-[(pyrrolidin-2-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-[(pyrrolidin-2-ylmethylamino)methyl]phenol is Oc1ccccc1CNCC1CCCN1.
What is the InChIKey of 2-[(pyrrolidin-2-ylmethylamino)methyl]phenol?
The InChIKey is BLWRWDSYQPBREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12-6-2-1-4-10(12)8-13-9-11-5-3-7-14-11/h1-2,4,6,11,13-15H,3,5,7-9H2.
What are the key properties of 2-[(pyrrolidin-2-ylmethylamino)methyl]phenol?
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyrrolidin-2-ylmethylamino)methyl]phenol is sourced from PubChem (CID 103846509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).