2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol

C16H28N2O — CID 64790360

IUPAC2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
SMILESCCCNC(CO)CCN(C)c1ccc(C)cc1C
InChIInChI=1S/C16H28N2O/c1-5-9-17-15(12-19)8-10-18(4)16-7-6-13(2)11-14(16)3/h6-7,11,15,17,19H,5,8-10,12H2,1-4H3
InChIKeyOYGNRMAYJCVUHB-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.49
Rot. Bonds8

About 2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol

2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol (PubChem CID 64790360) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol.

Molecular Properties

Compound Name2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
PubChem CID64790360
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
SMILESCCCNC(CO)CCN(C)c1ccc(C)cc1C
InChIInChI=1S/C16H28N2O/c1-5-9-17-15(12-19)8-10-18(4)16-7-6-13(2)11-14(16)3/h6-7,11,15,17,19H,5,8-10,12H2,1-4H3
InChIKeyOYGNRMAYJCVUHB-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64789779
4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol
CID 64789732
N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63504265
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452564
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol
CID 64791342
4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
CID 64790184
1-(N,2,4-trimethylanilino)pentan-2-ol
CID 62041498
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol
CID 64804340
4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol
CID 64791335
N'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 55089398

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol?
The IUPAC name of 2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol (CID 64790360) is 2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol.
What is the SMILES notation for 2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol?
The canonical SMILES for 2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol is CCCNC(CO)CCN(C)c1ccc(C)cc1C.
What is the InChIKey of 2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol?
The InChIKey is OYGNRMAYJCVUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-9-17-15(12-19)8-10-18(4)16-7-6-13(2)11-14(16)3/h6-7,11,15,17,19H,5,8-10,12H2,1-4H3.
What are the key properties of 2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol?
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol is sourced from PubChem (CID 64790360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).