[4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol

C14H22N2O — CID 107230022

IUPAC[4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol
SMILESCC1CC(NCc2ccc(CO)cc2)CN1C
InChIInChI=1S/C14H22N2O/c1-11-7-14(9-16(11)2)15-8-12-3-5-13(10-17)6-4-12/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyVENLJZHVQGTIAF-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.36
Rot. Bonds4

About [4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol

[4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol (PubChem CID 107230022) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol
PubChem CID107230022
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol
SMILESCC1CC(NCc2ccc(CO)cc2)CN1C
InChIInChI=1S/C14H22N2O/c1-11-7-14(9-16(11)2)15-8-12-3-5-13(10-17)6-4-12/h3-6,11,14-15,17H,7-10H2,1-2H3
InChIKeyVENLJZHVQGTIAF-UHFFFAOYSA-N
XLogP1.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-3-amine
CID 115726418
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81300420
[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]methanol
CID 114545663
N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81338197
N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide
CID 81333096
2-[1-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]cyclopropyl]ethanol
CID 114750536
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 115715680
N-[[2-(methoxymethyl)phenyl]methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301779
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 79032302
N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665551
1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 81466069
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822

Frequently Asked Questions

What is the IUPAC name of [4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol (CID 107230022) is [4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol is CC1CC(NCc2ccc(CO)cc2)CN1C.
What is the InChIKey of [4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol?
The InChIKey is VENLJZHVQGTIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-7-14(9-16(11)2)15-8-12-3-5-13(10-17)6-4-12/h3-6,11,14-15,17H,7-10H2,1-2H3.
What are the key properties of [4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol?
[4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107230022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).