3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol

C14H23NO — CID 115133914

IUPAC3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol
SMILESCc1ccc(N(C)C(C)(C)CCO)cc1C
InChIInChI=1S/C14H23NO/c1-11-6-7-13(10-12(11)2)15(5)14(3,4)8-9-16/h6-7,10,16H,8-9H2,1-5H3
InChIKeyDQSMCNULJJSGST-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.90
Rot. Bonds4

About 3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol

3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol (PubChem CID 115133914) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol
PubChem CID115133914
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol
SMILESCc1ccc(N(C)C(C)(C)CCO)cc1C
InChIInChI=1S/C14H23NO/c1-11-6-7-13(10-12(11)2)15(5)14(3,4)8-9-16/h6-7,10,16H,8-9H2,1-5H3
InChIKeyDQSMCNULJJSGST-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134108
3-(3-bromo-4-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133943
N,N,3,4-tetramethylaniline
CID 12595466
3-amino-3-(3,4-dimethylphenyl)butan-1-ol
CID 65239742
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]benzenecarbothioamide
CID 81277988
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134136
3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115133980
N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204769
4-(aminomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965313
4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 107083824
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]benzonitrile
CID 81281924

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol?
The IUPAC name of 3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol (CID 115133914) is 3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol?
The canonical SMILES for 3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol is Cc1ccc(N(C)C(C)(C)CCO)cc1C.
What is the InChIKey of 3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol?
The InChIKey is DQSMCNULJJSGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-6-7-13(10-12(11)2)15(5)14(3,4)8-9-16/h6-7,10,16H,8-9H2,1-5H3.
What are the key properties of 3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol?
3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol is sourced from PubChem (CID 115133914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).