4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol

C13H22N2O — CID 64791335

IUPAC4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN(C)c1ccccc1C
InChIInChI=1S/C13H22N2O/c1-11-6-4-5-7-13(11)15(3)9-8-12(10-16)14-2/h4-7,12,14,16H,8-10H2,1-3H3
InChIKeyFTAYANFARCFOGW-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.40
Rot. Bonds6

About 4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol

4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol (PubChem CID 64791335) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol
PubChem CID64791335
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN(C)c1ccccc1C
InChIInChI=1S/C13H22N2O/c1-11-6-4-5-7-13(11)15(3)9-8-12(10-16)14-2/h4-7,12,14,16H,8-10H2,1-3H3
InChIKeyFTAYANFARCFOGW-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

1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63494077
4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
CID 64791728
N,2-dimethyl-N-propylaniline
CID 69435269
4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
CID 64790184
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine
CID 103152435
2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64789779
3-(2-methoxy-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64791521
N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine
CID 62555257
N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine
CID 55069248
ethyl 2-(cyclopropylamino)-4-(N,2-dimethylanilino)butanoate
CID 63053643
5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808939

Frequently Asked Questions

What is the IUPAC name of 4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol (CID 64791335) is 4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol is CNC(CO)CCN(C)c1ccccc1C.
What is the InChIKey of 4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol?
The InChIKey is FTAYANFARCFOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-6-4-5-7-13(11)15(3)9-8-12(10-16)14-2/h4-7,12,14,16H,8-10H2,1-3H3.
What are the key properties of 4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol?
4-(N,2-dimethylanilino)-2-(methylamino)butan-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 4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64791335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).