4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol

C17H21NO2 — CID 115581451

IUPAC4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
SMILESCC(C)Oc1ccc(CNCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-13(2)20-17-9-5-15(6-10-17)12-18-11-14-3-7-16(19)8-4-14/h3-10,13,18-19H,11-12H2,1-2H3
InChIKeyGXBLNIPWJOTJOA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.47
Rot. Bonds6

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

4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol (PubChem CID 115581451) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
PubChem CID115581451
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
SMILESCC(C)Oc1ccc(CNCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-13(2)20-17-9-5-15(6-10-17)12-18-11-14-3-7-16(19)8-4-14/h3-10,13,18-19H,11-12H2,1-2H3
InChIKeyGXBLNIPWJOTJOA-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
ethane;4-propan-2-yloxyphenol
CID 142348653
1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54897632
2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 43754691
N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 60761686
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
N-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]acetamide
CID 43770338
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 54935244
2-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54932029
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol (CID 115581451) is 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol is CC(C)Oc1ccc(CNCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol?
The InChIKey is GXBLNIPWJOTJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(2)20-17-9-5-15(6-10-17)12-18-11-14-3-7-16(19)8-4-14/h3-10,13,18-19H,11-12H2,1-2H3.
What are the key properties of 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol?
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 115581451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).