2-methyl-3-(2-propylanilino)propan-1-ol

C13H21NO — CID 115872000

IUPAC2-methyl-3-(2-propylanilino)propan-1-ol
SMILESCCCc1ccccc1NCC(C)CO
InChIInChI=1S/C13H21NO/c1-3-6-12-7-4-5-8-13(12)14-9-11(2)10-15/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3
InChIKeyQHJVGQGMBYARKS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.68
Rot. Bonds6

About 2-methyl-3-(2-propylanilino)propan-1-ol

2-methyl-3-(2-propylanilino)propan-1-ol (PubChem CID 115872000) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-3-(2-propylanilino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(2-propylanilino)propan-1-ol
PubChem CID115872000
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-3-(2-propylanilino)propan-1-ol
SMILESCCCc1ccccc1NCC(C)CO
InChIInChI=1S/C13H21NO/c1-3-6-12-7-4-5-8-13(12)14-9-11(2)10-15/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3
InChIKeyQHJVGQGMBYARKS-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2-propylanilino)propanamide
CID 103246191
3-(2-tert-butylanilino)-2-methylpropan-1-ol
CID 115871945
1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol
CID 106989673
N-(2-fluoroethyl)-2-propylaniline
CID 80695673
methyl 2-acetamido-3-(2-propylanilino)propanoate
CID 103246193
N-(2-methylidenebutyl)-2-propylaniline
CID 66044507
2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
CID 61362995
N-(3-phenylbutyl)-2-propylaniline
CID 63434100
2-benzyl-N-(2-methylpentyl)aniline
CID 43093994
3-(3-iodo-2-methylanilino)-2-methylpropan-1-ol
CID 126973155
2-phenyl-1-(2-propylanilino)propan-2-ol
CID 62375007
2-(2-butylanilino)ethanol
CID 139597188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-propylanilino)propan-1-ol?
The IUPAC name of 2-methyl-3-(2-propylanilino)propan-1-ol (CID 115872000) is 2-methyl-3-(2-propylanilino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(2-propylanilino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(2-propylanilino)propan-1-ol is CCCc1ccccc1NCC(C)CO.
What is the InChIKey of 2-methyl-3-(2-propylanilino)propan-1-ol?
The InChIKey is QHJVGQGMBYARKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-6-12-7-4-5-8-13(12)14-9-11(2)10-15/h4-5,7-8,11,14-15H,3,6,9-10H2,1-2H3.
What are the key properties of 2-methyl-3-(2-propylanilino)propan-1-ol?
2-methyl-3-(2-propylanilino)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-propylanilino)propan-1-ol is sourced from PubChem (CID 115872000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).