2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol

C14H23NO — CID 115133232

IUPAC2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol
SMILESCCCc1ccc(N(C)C(C)(C)CO)cc1
InChIInChI=1S/C14H23NO/c1-5-6-12-7-9-13(10-8-12)15(4)14(2,3)11-16/h7-10,16H,5-6,11H2,1-4H3
InChIKeyUMUDRRAKQXPJCV-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.85
Rot. Bonds5

About 2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol

2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol (PubChem CID 115133232) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol
PubChem CID115133232
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol
SMILESCCCc1ccc(N(C)C(C)(C)CO)cc1
InChIInChI=1S/C14H23NO/c1-5-6-12-7-9-13(10-8-12)15(4)14(2,3)11-16/h7-10,16H,5-6,11H2,1-4H3
InChIKeyUMUDRRAKQXPJCV-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol
CID 113475937
2-methyl-2-(N-methyl-4-phenylanilino)propan-1-ol
CID 115133254
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
methyl-(4-propylphenyl)carbamic acid
CID 115170704
N-tert-butyl-N-(4-butylphenyl)hydroxylamine
CID 165347149
3-methyl-2-[(N-methyl-4-propylanilino)methyl]butanoic acid
CID 115250258
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
CID 117041612
2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol
CID 113475430
propylbenzene;N,N,2-trimethylpropan-2-amine
CID 91496276
4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
CID 117039080
4-(4-propylphenyl)butan-1-ol
CID 10511962
9-N,10-N-diphenyl-9-N,10-N-bis(4-propylphenyl)anthracene-9,10-diamine
CID 161046775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol?
The IUPAC name of 2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol (CID 115133232) is 2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol?
The canonical SMILES for 2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol is CCCc1ccc(N(C)C(C)(C)CO)cc1.
What is the InChIKey of 2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol?
The InChIKey is UMUDRRAKQXPJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-12-7-9-13(10-8-12)15(4)14(2,3)11-16/h7-10,16H,5-6,11H2,1-4H3.
What are the key properties of 2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol?
2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol is sourced from PubChem (CID 115133232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).