1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

C22H30FNO2 — CID 46008008

IUPAC1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccccc1CN(Cc1ccc(F)cc1)CC(O)COCC(C)C
InChIInChI=1S/C22H30FNO2/c1-17(2)15-26-16-22(25)14-24(12-19-8-10-21(23)11-9-19)13-20-7-5-4-6-18(20)3/h4-11,17,22,25H,12-16H2,1-3H3
InChIKeyMPIULADRAMKCAJ-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.17
Rot. Bonds10

About 1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 46008008) has the molecular formula C22H30FNO2 and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID46008008
Molecular FormulaC22H30FNO2
Molecular Weight359.49 g/mol
Exact Mass359.23
IUPAC Name1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccccc1CN(Cc1ccc(F)cc1)CC(O)COCC(C)C
InChIInChI=1S/C22H30FNO2/c1-17(2)15-26-16-22(25)14-24(12-19-8-10-21(23)11-9-19)13-20-7-5-4-6-18(20)3/h4-11,17,22,25H,12-16H2,1-3H3
InChIKeyMPIULADRAMKCAJ-UHFFFAOYSA-N
XLogP4.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 46008008) is 1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is Cc1ccccc1CN(Cc1ccc(F)cc1)CC(O)COCC(C)C.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is MPIULADRAMKCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO2/c1-17(2)15-26-16-22(25)14-24(12-19-8-10-21(23)11-9-19)13-20-7-5-4-6-18(20)3/h4-11,17,22,25H,12-16H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 359.49 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-[(2-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 46008008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).