3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol

C21H30N2O — CID 142915083

IUPAC3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol
SMILESCCNCC(C)(C)c1ccc(CN(CC)c2cccc(O)c2)cc1
InChIInChI=1S/C21H30N2O/c1-5-22-16-21(3,4)18-12-10-17(11-13-18)15-23(6-2)19-8-7-9-20(24)14-19/h7-14,22,24H,5-6,15-16H2,1-4H3
InChIKeyIOSLRBJFWRSWDZ-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.31
Rot. Bonds8

About 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol

3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol (PubChem CID 142915083) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol.

Molecular Properties

Compound Name3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol
PubChem CID142915083
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol
SMILESCCNCC(C)(C)c1ccc(CN(CC)c2cccc(O)c2)cc1
InChIInChI=1S/C21H30N2O/c1-5-22-16-21(3,4)18-12-10-17(11-13-18)15-23(6-2)19-8-7-9-20(24)14-19/h7-14,22,24H,5-6,15-16H2,1-4H3
InChIKeyIOSLRBJFWRSWDZ-UHFFFAOYSA-N
XLogP4.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 142915296
6-[2-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66626862
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
3-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 23390580
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
3-[ethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]phenol
CID 99793276
3-[benzyl(ethyl)amino]benzaldehyde
CID 84758568
3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol
CID 107733903
3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol
CID 107733913
N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429303
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol?
The IUPAC name of 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol (CID 142915083) is 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol.
What is the SMILES notation for 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol?
The canonical SMILES for 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol is CCNCC(C)(C)c1ccc(CN(CC)c2cccc(O)c2)cc1.
What is the InChIKey of 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol?
The InChIKey is IOSLRBJFWRSWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-5-22-16-21(3,4)18-12-10-17(11-13-18)15-23(6-2)19-8-7-9-20(24)14-19/h7-14,22,24H,5-6,15-16H2,1-4H3.
What are the key properties of 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol?
3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol has a molecular weight of 326.48 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol is sourced from PubChem (CID 142915083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).