1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol

C22H31NO2 — CID 138960105

IUPAC1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)CNC(CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H31NO2/c1-4-6-18-9-13-21(14-10-18)25-16-20(24)15-23-22(5-2)19-11-7-17(3)8-12-19/h7-14,20,22-24H,4-6,15-16H2,1-3H3
InChIKeyMFJHZDMTONMUQU-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.43
Rot. Bonds10

About 1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol

1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol (PubChem CID 138960105) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol
PubChem CID138960105
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)CNC(CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H31NO2/c1-4-6-18-9-13-21(14-10-18)25-16-20(24)15-23-22(5-2)19-11-7-17(3)8-12-19/h7-14,20,22-24H,4-6,15-16H2,1-3H3
InChIKeyMFJHZDMTONMUQU-UHFFFAOYSA-N
XLogP4.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-hydroxy-3-[1-(4-methylphenyl)propylamino]propoxy]phenyl]ethanone;hydrochloride
CID 138960102
1-[1-(4-methylphenyl)propylamino]-3-(4-nitrophenoxy)propan-2-ol
CID 138960109
1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol
CID 62548727
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
(2S)-2-[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]amino]butan-1-ol
CID 41474772
1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960082
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol
CID 82850496
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960076
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol?
The IUPAC name of 1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol (CID 138960105) is 1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol?
The canonical SMILES for 1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol is CCCc1ccc(OCC(O)CNC(CC)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol?
The InChIKey is MFJHZDMTONMUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-4-6-18-9-13-21(14-10-18)25-16-20(24)15-23-22(5-2)19-11-7-17(3)8-12-19/h7-14,20,22-24H,4-6,15-16H2,1-3H3.
What are the key properties of 1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol?
1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol has a molecular weight of 341.50 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol is sourced from PubChem (CID 138960105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).