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

C18H23NO — CID 115621741

IUPAC3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
SMILESCC(C)(CCc1ccccc1)NCc1cccc(O)c1
InChIInChI=1S/C18H23NO/c1-18(2,12-11-15-7-4-3-5-8-15)19-14-16-9-6-10-17(20)13-16/h3-10,13,19-20H,11-12,14H2,1-2H3
InChIKeyARXLZCSYGDTFBN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.89
Rot. Bonds6

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

3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol (PubChem CID 115621741) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
PubChem CID115621741
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
SMILESCC(C)(CCc1ccccc1)NCc1cccc(O)c1
InChIInChI=1S/C18H23NO/c1-18(2,12-11-15-7-4-3-5-8-15)19-14-16-9-6-10-17(20)13-16/h3-10,13,19-20H,11-12,14H2,1-2H3
InChIKeyARXLZCSYGDTFBN-UHFFFAOYSA-N
XLogP3.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol
CID 28725427
N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine
CID 106817114
4-chloro-2-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621723
3-[3-[[6-amino-3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-methylbutyl]phenol
CID 57000752
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115867947
3-(3-amino-3-methylbutyl)phenol
CID 19863682
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115621711
3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386
1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide
CID 14010338
4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol
CID 61046174
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol (CID 115621741) is 3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol is CC(C)(CCc1ccccc1)NCc1cccc(O)c1.
What is the InChIKey of 3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol?
The InChIKey is ARXLZCSYGDTFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-18(2,12-11-15-7-4-3-5-8-15)19-14-16-9-6-10-17(20)13-16/h3-10,13,19-20H,11-12,14H2,1-2H3.
What are the key properties of 3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol?
3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 115621741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).