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

C21H28FNO2 — CID 46007561

IUPAC1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(CN(Cc2ccc(F)cc2)CC(O)COC(C)C)cc1
InChIInChI=1S/C21H28FNO2/c1-16(2)25-15-21(24)14-23(12-18-6-4-17(3)5-7-18)13-19-8-10-20(22)11-9-19/h4-11,16,21,24H,12-15H2,1-3H3
InChIKeyZCFCKPRRPBTBSM-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.92
Rot. Bonds9

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

1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 46007561) has the molecular formula C21H28FNO2 and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID46007561
Molecular FormulaC21H28FNO2
Molecular Weight345.46 g/mol
Exact Mass345.21
IUPAC Name1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(CN(Cc2ccc(F)cc2)CC(O)COC(C)C)cc1
InChIInChI=1S/C21H28FNO2/c1-16(2)25-15-21(24)14-23(12-18-6-4-17(3)5-7-18)13-19-8-10-20(22)11-9-19/h4-11,16,21,24H,12-15H2,1-3H3
InChIKeyZCFCKPRRPBTBSM-UHFFFAOYSA-N
XLogP3.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007666
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713119
1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 46007568
1-[benzyl-[(2-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007720
1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007562
(2R)-1-[(4-methoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93160531
(2S)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163720
(2R)-1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 98629380
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24713535
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(4-fluorophenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164126

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol (CID 46007561) is 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol is Cc1ccc(CN(Cc2ccc(F)cc2)CC(O)COC(C)C)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is ZCFCKPRRPBTBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO2/c1-16(2)25-15-21(24)14-23(12-18-6-4-17(3)5-7-18)13-19-8-10-20(22)11-9-19/h4-11,16,21,24H,12-15H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 345.46 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 46007561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).