4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol

C16H27NO — CID 82981079

IUPAC4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol
SMILESCCC(C)(C)N(C)C(C)CCc1ccc(O)cc1
InChIInChI=1S/C16H27NO/c1-6-16(3,4)17(5)13(2)7-8-14-9-11-15(18)12-10-14/h9-13,18H,6-8H2,1-5H3
InChIKeyAOYPTPNBGGFKKN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.83
Rot. Bonds6

About 4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol

4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol (PubChem CID 82981079) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol
PubChem CID82981079
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol
SMILESCCC(C)(C)N(C)C(C)CCc1ccc(O)cc1
InChIInChI=1S/C16H27NO/c1-6-16(3,4)17(5)13(2)7-8-14-9-11-15(18)12-10-14/h9-13,18H,6-8H2,1-5H3
InChIKeyAOYPTPNBGGFKKN-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-methylbutan-2-ylamino)butyl]phenol
CID 43824453
3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
CID 65067286
4-[3-[1-methoxypropan-2-yl(methyl)amino]butyl]phenol
CID 82981678
4-(3-methylpentyl)phenol
CID 57225129
4-(3,5-dimethyloctyl)phenol
CID 174906830
4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol
CID 115317129
4-[2-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]ethyl]benzene-1,2-diol
CID 143733640
4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine
CID 19885160
4-[3-(N-ethylanilino)butyl]phenol
CID 82974928
4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid
CID 65067870
4-[4-(3-methylbutyl)phenoxy]phenol
CID 10199007
2-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]acetamide
CID 82978784

Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol?
The IUPAC name of 4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol (CID 82981079) is 4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol.
What is the SMILES notation for 4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol?
The canonical SMILES for 4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol is CCC(C)(C)N(C)C(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol?
The InChIKey is AOYPTPNBGGFKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-16(3,4)17(5)13(2)7-8-14-9-11-15(18)12-10-14/h9-13,18H,6-8H2,1-5H3.
What are the key properties of 4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol?
4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol has a molecular weight of 249.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol is sourced from PubChem (CID 82981079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).