2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol

C17H21NO — CID 132570116

IUPAC2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol
SMILESCNc1ccc(Cc2ccccc2O)cc1C(C)C
InChIInChI=1S/C17H21NO/c1-12(2)15-11-13(8-9-16(15)18-3)10-14-6-4-5-7-17(14)19/h4-9,11-12,18-19H,10H2,1-3H3
InChIKeyRSRYEURRUWZLKU-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.15
Rot. Bonds4

About 2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol

2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol (PubChem CID 132570116) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol
PubChem CID132570116
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol
SMILESCNc1ccc(Cc2ccccc2O)cc1C(C)C
InChIInChI=1S/C17H21NO/c1-12(2)15-11-13(8-9-16(15)18-3)10-14-6-4-5-7-17(14)19/h4-9,11-12,18-19H,10H2,1-3H3
InChIKeyRSRYEURRUWZLKU-UHFFFAOYSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline
CID 142307020
4-benzyl-6-[(4-hydroxy-3-propan-2-ylphenyl)methyl]benzene-1,2,3-triol
CID 58626406
2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene
CID 155367036
2-[(4-propan-2-yloxyphenyl)methyl]phenol
CID 22145956
2-benzylphenol;ethane
CID 91068983
5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol
CID 54444447
N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide
CID 2203693
2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol
CID 132570110
1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene
CID 157084325
1-benzyl-2-propan-2-ylbenzene
CID 13215617
lithium;2-benzylphenol;hydride
CID 174706000
2-[(1-aminoethylamino)methyl]phenol
CID 67733562

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol?
The IUPAC name of 2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol (CID 132570116) is 2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol.
What is the SMILES notation for 2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol?
The canonical SMILES for 2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol is CNc1ccc(Cc2ccccc2O)cc1C(C)C.
What is the InChIKey of 2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol?
The InChIKey is RSRYEURRUWZLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12(2)15-11-13(8-9-16(15)18-3)10-14-6-4-5-7-17(14)19/h4-9,11-12,18-19H,10H2,1-3H3.
What are the key properties of 2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol?
2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol is sourced from PubChem (CID 132570116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).