2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol

C14H22N2O — CID 54953010

IUPAC2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
SMILESCC(CN1CCCC1)NCc1ccccc1O
InChIInChI=1S/C14H22N2O/c1-12(11-16-8-4-5-9-16)15-10-13-6-2-3-7-14(13)17/h2-3,6-7,12,15,17H,4-5,8-11H2,1H3
InChIKeyAKVCCPXJUZRDSQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.97
Rot. Bonds5

About 2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol

2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol (PubChem CID 54953010) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
PubChem CID54953010
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
SMILESCC(CN1CCCC1)NCc1ccccc1O
InChIInChI=1S/C14H22N2O/c1-12(11-16-8-4-5-9-16)15-10-13-6-2-3-7-14(13)17/h2-3,6-7,12,15,17H,4-5,8-11H2,1H3
InChIKeyAKVCCPXJUZRDSQ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
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-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398
1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 43435870
1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43791734
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938186
N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 113408558
4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol
CID 43675654
2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol
CID 167988142
N-[(2-fluoro-3-nitrophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107349047
N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
N-(furan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 43749052
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54976733

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol?
The IUPAC name of 2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol (CID 54953010) is 2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol?
The canonical SMILES for 2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol is CC(CN1CCCC1)NCc1ccccc1O.
What is the InChIKey of 2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol?
The InChIKey is AKVCCPXJUZRDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(11-16-8-4-5-9-16)15-10-13-6-2-3-7-14(13)17/h2-3,6-7,12,15,17H,4-5,8-11H2,1H3.
What are the key properties of 2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol?
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol is sourced from PubChem (CID 54953010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).