3-methyl-3-(4-propylanilino)butan-1-ol

C14H23NO — CID 115133797

IUPAC3-methyl-3-(4-propylanilino)butan-1-ol
SMILESCCCc1ccc(NC(C)(C)CCO)cc1
InChIInChI=1S/C14H23NO/c1-4-5-12-6-8-13(9-7-12)15-14(2,3)10-11-16/h6-9,15-16H,4-5,10-11H2,1-3H3
InChIKeyZCJHRNDENPRDHH-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.21
Rot. Bonds6

About 3-methyl-3-(4-propylanilino)butan-1-ol

3-methyl-3-(4-propylanilino)butan-1-ol (PubChem CID 115133797) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methyl-3-(4-propylanilino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(4-propylanilino)butan-1-ol
PubChem CID115133797
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methyl-3-(4-propylanilino)butan-1-ol
SMILESCCCc1ccc(NC(C)(C)CCO)cc1
InChIInChI=1S/C14H23NO/c1-4-5-12-6-8-13(9-7-12)15-14(2,3)10-11-16/h6-9,15-16H,4-5,10-11H2,1-3H3
InChIKeyZCJHRNDENPRDHH-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol
CID 115134045
1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine
CID 115132400
3-(4-ethylsulfanylanilino)-3-methylbutan-1-ol
CID 115133859
6-(4-propylanilino)hexan-1-ol
CID 103868001
4-amino-3,3-dimethyl-N-(4-propylphenyl)butanamide
CID 115157180
3,3-dimethyl-5-(4-propylphenyl)pentan-1-amine
CID 65300566
3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 103787561
4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115968785
3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol
CID 115133823
N-methoxy-4-propylaniline
CID 143258857
3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115134207
4-(4-propylphenyl)butan-1-ol
CID 10511962

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-propylanilino)butan-1-ol?
The IUPAC name of 3-methyl-3-(4-propylanilino)butan-1-ol (CID 115133797) is 3-methyl-3-(4-propylanilino)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(4-propylanilino)butan-1-ol?
The canonical SMILES for 3-methyl-3-(4-propylanilino)butan-1-ol is CCCc1ccc(NC(C)(C)CCO)cc1.
What is the InChIKey of 3-methyl-3-(4-propylanilino)butan-1-ol?
The InChIKey is ZCJHRNDENPRDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-12-6-8-13(9-7-12)15-14(2,3)10-11-16/h6-9,15-16H,4-5,10-11H2,1-3H3.
What are the key properties of 3-methyl-3-(4-propylanilino)butan-1-ol?
3-methyl-3-(4-propylanilino)butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-propylanilino)butan-1-ol is sourced from PubChem (CID 115133797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).