3-(4-tert-butyl-N-methylanilino)propan-1-ol

C14H23NO — CID 94258791

IUPAC3-(4-tert-butyl-N-methylanilino)propan-1-ol
SMILESCN(CCCO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-14(2,3)12-6-8-13(9-7-12)15(4)10-5-11-16/h6-9,16H,5,10-11H2,1-4H3
InChIKeyXGLHXOYRNMIWTC-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.80
Rot. Bonds4

About 3-(4-tert-butyl-N-methylanilino)propan-1-ol

3-(4-tert-butyl-N-methylanilino)propan-1-ol (PubChem CID 94258791) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(4-tert-butyl-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(4-tert-butyl-N-methylanilino)propan-1-ol
PubChem CID94258791
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(4-tert-butyl-N-methylanilino)propan-1-ol
SMILESCN(CCCO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-14(2,3)12-6-8-13(9-7-12)15(4)10-5-11-16/h6-9,16H,5,10-11H2,1-4H3
InChIKeyXGLHXOYRNMIWTC-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203665
3-(3,4-difluoro-N-methylanilino)propan-1-ol
CID 110903439
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135181
3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol
CID 115217119
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162843
3-(4-butan-2-yl-N-methylanilino)propan-1-ol
CID 115216712
3-(3,4-dichloro-N-methylanilino)propan-1-ol
CID 82116339
1-(4-tert-butylphenyl)-3-[3-(N-methylanilino)propyl]thiourea
CID 74225556
4-[6-hydroxyhexyl(methyl)amino]benzenecarbothioamide
CID 107703805
3-(3-bromo-N,4-dimethylanilino)propan-1-ol
CID 82120880
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-N-methylanilino)propan-1-ol?
The IUPAC name of 3-(4-tert-butyl-N-methylanilino)propan-1-ol (CID 94258791) is 3-(4-tert-butyl-N-methylanilino)propan-1-ol.
What is the SMILES notation for 3-(4-tert-butyl-N-methylanilino)propan-1-ol?
The canonical SMILES for 3-(4-tert-butyl-N-methylanilino)propan-1-ol is CN(CCCO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butyl-N-methylanilino)propan-1-ol?
The InChIKey is XGLHXOYRNMIWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)12-6-8-13(9-7-12)15(4)10-5-11-16/h6-9,16H,5,10-11H2,1-4H3.
What are the key properties of 3-(4-tert-butyl-N-methylanilino)propan-1-ol?
3-(4-tert-butyl-N-methylanilino)propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-N-methylanilino)propan-1-ol is sourced from PubChem (CID 94258791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).