1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine

C17H21FN2O — CID 62644528

IUPAC1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
SMILESCOc1ccc(N(C)CCC(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2O/c1-20(15-7-9-16(21-2)10-8-15)12-11-17(19)13-3-5-14(18)6-4-13/h3-10,17H,11-12,19H2,1-2H3
InChIKeyZINIKNFPBKBPCF-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.36
Rot. Bonds6

About 1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine

1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 62644528) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
PubChem CID62644528
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
SMILESCOc1ccc(N(C)CCC(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2O/c1-20(15-7-9-16(21-2)10-8-15)12-11-17(19)13-3-5-14(18)6-4-13/h3-10,17H,11-12,19H2,1-2H3
InChIKeyZINIKNFPBKBPCF-UHFFFAOYSA-N
XLogP3.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645408
1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62630981
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630979
1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520687
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62630498
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 62644481
1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine
CID 115199231
2-(4-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 82023270

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine (CID 62644528) is 1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine is COc1ccc(N(C)CCC(N)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is ZINIKNFPBKBPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-20(15-7-9-16(21-2)10-8-15)12-11-17(19)13-3-5-14(18)6-4-13/h3-10,17H,11-12,19H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine?
1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62644528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).