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

C24H37NO2 — CID 144539772

IUPAC4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane
SMILESCC.COc1cc(CCC(C)NCc2ccc(C(C)(C)C)cc2)ccc1O
InChIInChI=1S/C22H31NO2.C2H6/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;1-2/h8-14,16,23-24H,6-7,15H2,1-5H3;1-2H3
InChIKeyGSWQEZYEMQIVBJ-UHFFFAOYSA-N
MW371.57 g/mol
LogP5.84
Rot. Bonds7

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

4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane (PubChem CID 144539772) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane.

Molecular Properties

Compound Name4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane
PubChem CID144539772
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane
SMILESCC.COc1cc(CCC(C)NCc2ccc(C(C)(C)C)cc2)ccc1O
InChIInChI=1S/C22H31NO2.C2H6/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;1-2/h8-14,16,23-24H,6-7,15H2,1-5H3;1-2H3
InChIKeyGSWQEZYEMQIVBJ-UHFFFAOYSA-N
XLogP5.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol
CID 71276956
2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277050
ethane;2-methoxy-4-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 144539777
4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
CID 161393125
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
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol
CID 113357900
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
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;ethane?
The IUPAC name of 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane (CID 144539772) is 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane.
What is the SMILES notation for 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane?
The canonical SMILES for 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane is CC.COc1cc(CCC(C)NCc2ccc(C(C)(C)C)cc2)ccc1O.
What is the InChIKey of 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane?
The InChIKey is GSWQEZYEMQIVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2.C2H6/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;1-2/h8-14,16,23-24H,6-7,15H2,1-5H3;1-2H3.
What are the key properties of 4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane?
4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane has a molecular weight of 371.57 g/mol, XLogP of 5.84, 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;ethane is sourced from PubChem (CID 144539772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).