4-[4-methyl-2-(propylamino)phenyl]butan-2-ol

C14H23NO — CID 71051945

IUPAC4-[4-methyl-2-(propylamino)phenyl]butan-2-ol
SMILESCCCNc1cc(C)ccc1CCC(C)O
InChIInChI=1S/C14H23NO/c1-4-9-15-14-10-11(2)5-7-13(14)8-6-12(3)16/h5,7,10,12,15-16H,4,6,8-9H2,1-3H3
InChIKeyDBXROAKWLVWGII-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.13
Rot. Bonds6

About 4-[4-methyl-2-(propylamino)phenyl]butan-2-ol

4-[4-methyl-2-(propylamino)phenyl]butan-2-ol (PubChem CID 71051945) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[4-methyl-2-(propylamino)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-methyl-2-(propylamino)phenyl]butan-2-ol
PubChem CID71051945
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[4-methyl-2-(propylamino)phenyl]butan-2-ol
SMILESCCCNc1cc(C)ccc1CCC(C)O
InChIInChI=1S/C14H23NO/c1-4-9-15-14-10-11(2)5-7-13(14)8-6-12(3)16/h5,7,10,12,15-16H,4,6,8-9H2,1-3H3
InChIKeyDBXROAKWLVWGII-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-N-propylbenzene-1,2-diamine
CID 58056820
2-(4-hydroxypentylamino)-4-methylbenzoic acid
CID 106136495
4-[(2-chloro-4-methylphenyl)methylamino]butan-2-ol
CID 106862742
4-methylphenol;pentan-2-ol
CID 159232980
1-(2-chloro-4-methylphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 106864903
5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 107267917
N,2-diethyl-5-methylaniline;ethane
CID 143835073
1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
5-methyl-N-(1-methylcyclopropyl)-2-(propylamino)benzamide
CID 113485988
4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295510
4-(3-hydroxybutyl)benzene-1,3-diol
CID 71768563

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-(propylamino)phenyl]butan-2-ol?
The IUPAC name of 4-[4-methyl-2-(propylamino)phenyl]butan-2-ol (CID 71051945) is 4-[4-methyl-2-(propylamino)phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-methyl-2-(propylamino)phenyl]butan-2-ol?
The canonical SMILES for 4-[4-methyl-2-(propylamino)phenyl]butan-2-ol is CCCNc1cc(C)ccc1CCC(C)O.
What is the InChIKey of 4-[4-methyl-2-(propylamino)phenyl]butan-2-ol?
The InChIKey is DBXROAKWLVWGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-9-15-14-10-11(2)5-7-13(14)8-6-12(3)16/h5,7,10,12,15-16H,4,6,8-9H2,1-3H3.
What are the key properties of 4-[4-methyl-2-(propylamino)phenyl]butan-2-ol?
4-[4-methyl-2-(propylamino)phenyl]butan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-(propylamino)phenyl]butan-2-ol is sourced from PubChem (CID 71051945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).