3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol

C13H22N2O — CID 107105813

IUPAC3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol
SMILESCCN(CCCO)c1c(C)cccc1CN
InChIInChI=1S/C13H22N2O/c1-3-15(8-5-9-16)13-11(2)6-4-7-12(13)10-14/h4,6-7,16H,3,5,8-10,14H2,1-2H3
InChIKeyAKIPVMUPXIDASF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.66
Rot. Bonds6

About 3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol

3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol (PubChem CID 107105813) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol
PubChem CID107105813
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol
SMILESCCN(CCCO)c1c(C)cccc1CN
InChIInChI=1S/C13H22N2O/c1-3-15(8-5-9-16)13-11(2)6-4-7-12(13)10-14/h4,6-7,16H,3,5,8-10,14H2,1-2H3
InChIKeyAKIPVMUPXIDASF-UHFFFAOYSA-N
XLogP1.66
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol
CID 107478449
2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol
CID 107105810
4-[2-(3-aminopropoxymethyl)-N-ethyl-6-methylanilino]butanamide
CID 70424934
N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine
CID 170189263
3-[4-(aminomethyl)-3-bromo-N-ethyl-2-fluoroanilino]propan-1-ol
CID 107532489
2-(aminomethyl)-N-cyclopentyl-N-ethyl-6-methylaniline
CID 107105520
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
N,N-dibutyl-2,6-dimethylaniline
CID 100917562
2-(N-ethyl-2-methyl-6-nitroanilino)ethanol
CID 115553982
2-[2-(aminomethyl)-6-methylanilino]ethanol
CID 107105672
3-[N-ethyl-2-fluoro-6-[(1R)-1-hydroxyethyl]anilino]propan-1-ol
CID 114059235
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
CID 28792510

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol?
The IUPAC name of 3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol (CID 107105813) is 3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol.
What is the SMILES notation for 3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol?
The canonical SMILES for 3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol is CCN(CCCO)c1c(C)cccc1CN.
What is the InChIKey of 3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol?
The InChIKey is AKIPVMUPXIDASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15(8-5-9-16)13-11(2)6-4-7-12(13)10-14/h4,6-7,16H,3,5,8-10,14H2,1-2H3.
What are the key properties of 3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol?
3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol is sourced from PubChem (CID 107105813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).