3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol

C13H22N2O — CID 64789932

IUPAC3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)CN(C)c1cccc(C)c1
InChIInChI=1S/C13H22N2O/c1-4-14-12(10-16)9-15(3)13-7-5-6-11(2)8-13/h5-8,12,14,16H,4,9-10H2,1-3H3
InChIKeyQNXRNUHTQCWLQW-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.40
Rot. Bonds6

About 3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol

3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol (PubChem CID 64789932) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
PubChem CID64789932
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)CN(C)c1cccc(C)c1
InChIInChI=1S/C13H22N2O/c1-4-14-12(10-16)9-15(3)13-7-5-6-11(2)8-13/h5-8,12,14,16H,4,9-10H2,1-3H3
InChIKeyQNXRNUHTQCWLQW-UHFFFAOYSA-N
XLogP1.40
TPSA35.50 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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
CID 64789933
4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol
CID 64789732
methyl 2-[(N,3-dimethylanilino)methyl]butanoate
CID 115253087
2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64808532
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 62041659
2-(ethylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol
CID 64808400
3-(N,3-dimethylanilino)-2-(ethylamino)-2-methylpropan-1-ol
CID 64792128
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 64789581
1-N-methyl-1-N-(3-methylphenyl)heptane-1,2-diamine
CID 70562883
2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64791529
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894

Frequently Asked Questions

What is the IUPAC name of 3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol (CID 64789932) is 3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol is CCNC(CO)CN(C)c1cccc(C)c1.
What is the InChIKey of 3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol?
The InChIKey is QNXRNUHTQCWLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-14-12(10-16)9-15(3)13-7-5-6-11(2)8-13/h5-8,12,14,16H,4,9-10H2,1-3H3.
What are the key properties of 3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol?
3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64789932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).