4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol

C22H31NO2 — CID 71276956

IUPAC4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol
SMILESCOc1cc(CCC(C)NCc2ccc(C(C)(C)C)cc2)ccc1O
InChIInChI=1S/C22H31NO2/c1-16(6-7-17-10-13-20(24)21(14-17)25-5)23-15-18-8-11-19(12-9-18)22(2,3)4/h8-14,16,23-24H,6-7,15H2,1-5H3
InChIKeyWEBYPAAKTNZNRG-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.81
Rot. Bonds7

About 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol

4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol (PubChem CID 71276956) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol
PubChem CID71276956
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol
SMILESCOc1cc(CCC(C)NCc2ccc(C(C)(C)C)cc2)ccc1O
InChIInChI=1S/C22H31NO2/c1-16(6-7-17-10-13-20(24)21(14-17)25-5)23-15-18-8-11-19(12-9-18)22(2,3)4/h8-14,16,23-24H,6-7,15H2,1-5H3
InChIKeyWEBYPAAKTNZNRG-UHFFFAOYSA-N
XLogP4.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane
CID 144539772
2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277050
4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
CID 161393125
ethane;2-methoxy-4-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 144539777
4-[3-[2-(3,4-dichlorophenyl)propan-2-ylamino]butyl]-2-methoxyphenol
CID 71276995
2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
CID 10806259
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol
CID 113357900
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol?
The IUPAC name of 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol (CID 71276956) is 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol?
The canonical SMILES for 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol is COc1cc(CCC(C)NCc2ccc(C(C)(C)C)cc2)ccc1O.
What is the InChIKey of 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol?
The InChIKey is WEBYPAAKTNZNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-16(6-7-17-10-13-20(24)21(14-17)25-5)23-15-18-8-11-19(12-9-18)22(2,3)4/h8-14,16,23-24H,6-7,15H2,1-5H3.
What are the key properties of 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol?
4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol has a molecular weight of 341.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol is sourced from PubChem (CID 71276956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).