1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol

C21H30N2O — CID 70559473

IUPAC1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
SMILESCCc1cccc(C(O)CNC(C)Cc2ccc(CNC)cc2)c1
InChIInChI=1S/C21H30N2O/c1-4-17-6-5-7-20(13-17)21(24)15-23-16(2)12-18-8-10-19(11-9-18)14-22-3/h5-11,13,16,21-24H,4,12,14-15H2,1-3H3
InChIKeyFIQZMSHJDRBIRJ-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.22
Rot. Bonds9

About 1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol

1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol (PubChem CID 70559473) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
PubChem CID70559473
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
SMILESCCc1cccc(C(O)CNC(C)Cc2ccc(CNC)cc2)c1
InChIInChI=1S/C21H30N2O/c1-4-17-6-5-7-20(13-17)21(24)15-23-16(2)12-18-8-10-19(11-9-18)14-22-3/h5-11,13,16,21-24H,4,12,14-15H2,1-3H3
InChIKeyFIQZMSHJDRBIRJ-UHFFFAOYSA-N
XLogP3.22
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
CID 14368686
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]ethyl]phenyl]propan-2-yl]amino]ethanol
CID 44522818
1-(3-fluorophenyl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol;dihydrobromide
CID 70468513
methyl 4-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]propyl]benzoate
CID 44522671
methyl 4-[2-[[2-hydroxy-2-(3-iodophenyl)ethyl]amino]propyl]benzoate
CID 44522721
(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
CID 54165466
4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]phenol
CID 70485756
2-[1-[4-(aminomethyl)phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70554567
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[3-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]propoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride
CID 44522840
1-(2-benzofuran-1-yl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol
CID 70507594
methyl 4-[(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
CID 22823728

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol (CID 70559473) is 1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol is CCc1cccc(C(O)CNC(C)Cc2ccc(CNC)cc2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
The InChIKey is FIQZMSHJDRBIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-4-17-6-5-7-20(13-17)21(24)15-23-16(2)12-18-8-10-19(11-9-18)14-22-3/h5-11,13,16,21-24H,4,12,14-15H2,1-3H3.
What are the key properties of 1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol?
1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol has a molecular weight of 326.48 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[1-[4-(methylaminomethyl)phenyl]propan-2-ylamino]ethanol is sourced from PubChem (CID 70559473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).