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

C18H22FNO — CID 62645449

IUPAC1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccc(CN(C)CCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-14-3-5-15(6-4-14)13-20(2)12-11-18(21)16-7-9-17(19)10-8-16/h3-10,18,21H,11-13H2,1-2H3
InChIKeyRCHZQXLJKFHWQD-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.69
Rot. Bonds6

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

1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol (PubChem CID 62645449) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
PubChem CID62645449
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccc(CN(C)CCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-14-3-5-15(6-4-14)13-20(2)12-11-18(21)16-7-9-17(19)10-8-16/h3-10,18,21H,11-13H2,1-2H3
InChIKeyRCHZQXLJKFHWQD-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
1-(4-fluorophenyl)-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 62630143
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
1-(4-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62630002
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790
1-(4-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486454
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]butanoic acid
CID 115241256

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol (CID 62645449) is 1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol is Cc1ccc(CN(C)CCC(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol?
The InChIKey is RCHZQXLJKFHWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14-3-5-15(6-4-14)13-20(2)12-11-18(21)16-7-9-17(19)10-8-16/h3-10,18,21H,11-13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol?
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol has a molecular weight of 287.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 62645449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).