[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol

C14H22N2O — CID 114478921

IUPAC[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(CN)ccc1CN1CCC(CO)C1
InChIInChI=1S/C14H22N2O/c1-11-6-12(7-15)2-3-14(11)9-16-5-4-13(8-16)10-17/h2-3,6,13,17H,4-5,7-10,15H2,1H3
InChIKeyHKXLATRFCRKGTG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.27
Rot. Bonds4

About [1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol

[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 114478921) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
PubChem CID114478921
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(CN)ccc1CN1CCC(CO)C1
InChIInChI=1S/C14H22N2O/c1-11-6-12(7-15)2-3-14(11)9-16-5-4-13(8-16)10-17/h2-3,6,13,17H,4-5,7-10,15H2,1H3
InChIKeyHKXLATRFCRKGTG-UHFFFAOYSA-N
XLogP1.27
TPSA49.49 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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
CID 107227286
[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478616
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol
CID 102663114
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 114478897
1-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 114478612
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371929
[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776468
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
CID 106996739
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol (CID 114478921) is [1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol is Cc1cc(CN)ccc1CN1CCC(CO)C1.
What is the InChIKey of [1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is HKXLATRFCRKGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-6-12(7-15)2-3-14(11)9-16-5-4-13(8-16)10-17/h2-3,6,13,17H,4-5,7-10,15H2,1H3.
What are the key properties of [1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol?
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 114478921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).