2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol

C13H18N2O — CID 83977213

IUPAC2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol
SMILESCn1cc(CC(CN)CO)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-15-8-11(6-10(7-14)9-16)12-4-2-3-5-13(12)15/h2-5,8,10,16H,6-7,9,14H2,1H3
InChIKeyPTSBVADIAZMDKF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.29
Rot. Bonds4

About 2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol

2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol (PubChem CID 83977213) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol
PubChem CID83977213
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol
SMILESCn1cc(CC(CN)CO)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-15-8-11(6-10(7-14)9-16)12-4-2-3-5-13(12)15/h2-5,8,10,16H,6-7,9,14H2,1H3
InChIKeyPTSBVADIAZMDKF-UHFFFAOYSA-N
XLogP1.29
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
2-(2,4-difluorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83975209
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
2-(2,3-dichlorophenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83975787
propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400957
2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400954
(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483330
methyl 2-formyl-3-(1-methylindol-3-yl)propanoate
CID 123858693
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115153662

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol (CID 83977213) is 2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol is Cn1cc(CC(CN)CO)c2ccccc21.
What is the InChIKey of 2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol?
The InChIKey is PTSBVADIAZMDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-8-11(6-10(7-14)9-16)12-4-2-3-5-13(12)15/h2-5,8,10,16H,6-7,9,14H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol?
2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol is sourced from PubChem (CID 83977213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).