4-[bis(3-methylbutyl)amino]phenol

C16H27NO — CID 57012672

IUPAC4-[bis(3-methylbutyl)amino]phenol
SMILESCC(C)CCN(CCC(C)C)c1ccc(O)cc1
InChIInChI=1S/C16H27NO/c1-13(2)9-11-17(12-10-14(3)4)15-5-7-16(18)8-6-15/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyHAPIZHOEEQAYLH-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.29
Rot. Bonds7

About 4-[bis(3-methylbutyl)amino]phenol

4-[bis(3-methylbutyl)amino]phenol (PubChem CID 57012672) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[bis(3-methylbutyl)amino]phenol.

Molecular Properties

Compound Name4-[bis(3-methylbutyl)amino]phenol
PubChem CID57012672
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-[bis(3-methylbutyl)amino]phenol
SMILESCC(C)CCN(CCC(C)C)c1ccc(O)cc1
InChIInChI=1S/C16H27NO/c1-13(2)9-11-17(12-10-14(3)4)15-5-7-16(18)8-6-15/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyHAPIZHOEEQAYLH-UHFFFAOYSA-N
XLogP4.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N,N-bis(3-methylbutyl)aniline
CID 138414456
4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide
CID 168861520
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
3-[4-tert-butyl-N-(3-methylbutyl)anilino]propanoic acid
CID 82319128
4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline
CID 43275905
4-[nonyl(pentyl)amino]phenol
CID 174874757
ethane;4-[[3-methylbutyl(propan-2-yl)amino]methyl]phenol
CID 156850117
4-[bis(2-silyloxyethyl)amino]phenol
CID 123153304
2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 107870506
[4-[3-[4-[4-[bis(3-methylbutyl)amino]benzoyl]oxyphenyl]-3-oxopropanoyl]phenyl] 4-[bis(3-methylbutyl)amino]benzoate
CID 139908356
4-[bis(2-hydroxytridecyl)amino]phenol
CID 162495079
4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide
CID 136897446

Frequently Asked Questions

What is the IUPAC name of 4-[bis(3-methylbutyl)amino]phenol?
The IUPAC name of 4-[bis(3-methylbutyl)amino]phenol (CID 57012672) is 4-[bis(3-methylbutyl)amino]phenol.
What is the SMILES notation for 4-[bis(3-methylbutyl)amino]phenol?
The canonical SMILES for 4-[bis(3-methylbutyl)amino]phenol is CC(C)CCN(CCC(C)C)c1ccc(O)cc1.
What is the InChIKey of 4-[bis(3-methylbutyl)amino]phenol?
The InChIKey is HAPIZHOEEQAYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)9-11-17(12-10-14(3)4)15-5-7-16(18)8-6-15/h5-8,13-14,18H,9-12H2,1-4H3.
What are the key properties of 4-[bis(3-methylbutyl)amino]phenol?
4-[bis(3-methylbutyl)amino]phenol has a molecular weight of 249.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(3-methylbutyl)amino]phenol is sourced from PubChem (CID 57012672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).