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

C16H26N2O — CID 64789779

IUPAC2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
SMILESCc1ccc(N(C)CCC(CO)NC2CC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-4-7-16(13(2)10-12)18(3)9-8-15(11-19)17-14-5-6-14/h4,7,10,14-15,17,19H,5-6,8-9,11H2,1-3H3
InChIKeyCSJXMTIKTSETGL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.24
Rot. Bonds7

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

2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol (PubChem CID 64789779) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
PubChem CID64789779
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
SMILESCc1ccc(N(C)CCC(CO)NC2CC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-4-7-16(13(2)10-12)18(3)9-8-15(11-19)17-14-5-6-14/h4,7,10,14-15,17,19H,5-6,8-9,11H2,1-3H3
InChIKeyCSJXMTIKTSETGL-UHFFFAOYSA-N
XLogP2.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434960
2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
CID 64789933
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445
1-(3-chlorophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489443
4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol
CID 64791335
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489442
2-(cyclopropylamino)-4-(3,4-dimethylphenyl)sulfanylbutan-1-ol
CID 64805977
ethyl 2-(cyclopropylamino)-4-(N,2-dimethylanilino)butanoate
CID 63053643

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol (CID 64789779) is 2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol is Cc1ccc(N(C)CCC(CO)NC2CC2)c(C)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol?
The InChIKey is CSJXMTIKTSETGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-4-7-16(13(2)10-12)18(3)9-8-15(11-19)17-14-5-6-14/h4,7,10,14-15,17,19H,5-6,8-9,11H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol?
2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol is sourced from PubChem (CID 64789779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).