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

C14H22N2O — CID 64789933

IUPAC2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
SMILESCc1cccc(N(C)CC(CO)NC2CC2)c1
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-14(8-11)16(2)9-13(10-17)15-12-6-7-12/h3-5,8,12-13,15,17H,6-7,9-10H2,1-2H3
InChIKeyUULZYNLTDAUADW-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.54
Rot. Bonds6

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

2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol (PubChem CID 64789933) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
PubChem CID64789933
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
SMILESCc1cccc(N(C)CC(CO)NC2CC2)c1
InChIInChI=1S/C14H22N2O/c1-11-4-3-5-14(8-11)16(2)9-13(10-17)15-12-6-7-12/h3-5,8,12-13,15,17H,6-7,9-10H2,1-2H3
InChIKeyUULZYNLTDAUADW-UHFFFAOYSA-N
XLogP1.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 64789581
3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64789932
2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol
CID 64807361
2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64789779
4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol
CID 64789732
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64810584
N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 62259045
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea
CID 54531853
2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64791529
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol (CID 64789933) is 2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol is Cc1cccc(N(C)CC(CO)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol?
The InChIKey is UULZYNLTDAUADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-3-5-14(8-11)16(2)9-13(10-17)15-12-6-7-12/h3-5,8,12-13,15,17H,6-7,9-10H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol?
2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol is sourced from PubChem (CID 64789933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).