3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol

C15H24N2O — CID 55076124

IUPAC3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1cc(N2CCCC2CCCO)ccc1CN
InChIInChI=1S/C15H24N2O/c1-12-10-15(7-6-13(12)11-16)17-8-2-4-14(17)5-3-9-18/h6-7,10,14,18H,2-5,8-9,11,16H2,1H3
InChIKeyHZUNJEYAUSSXBX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.20
Rot. Bonds5

About 3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55076124) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55076124
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1cc(N2CCCC2CCCO)ccc1CN
InChIInChI=1S/C15H24N2O/c1-12-10-15(7-6-13(12)11-16)17-8-2-4-14(17)5-3-9-18/h6-7,10,14,18H,2-5,8-9,11,16H2,1H3
InChIKeyHZUNJEYAUSSXBX-UHFFFAOYSA-N
XLogP2.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol
CID 112747807
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365
1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469358
2-[1-(4-amino-3-methylphenyl)piperidin-2-yl]ethanol
CID 43436167
2-[1-(3-chloro-4-methylphenyl)pyrrolidin-2-yl]ethanol
CID 117028541
[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 169489236
[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 67085949
3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467233
3-[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 81050229
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde
CID 62468113
3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62648788

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol (CID 55076124) is 3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol is Cc1cc(N2CCCC2CCCO)ccc1CN.
What is the InChIKey of 3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is HZUNJEYAUSSXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-10-15(7-6-13(12)11-16)17-8-2-4-14(17)5-3-9-18/h6-7,10,14,18H,2-5,8-9,11,16H2,1H3.
What are the key properties of 3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55076124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).