N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine

C17H21FN2O — CID 62132256

IUPACN-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)c2ccc(F)cc2)cc1C
InChIInChI=1S/C17H21FN2O/c1-12-10-13(4-9-17(12)21-3)16(11-19)20(2)15-7-5-14(18)6-8-15/h4-10,16H,11,19H2,1-3H3
InChIKeyVRCHCGCACDAGHV-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.28
Rot. Bonds5

About N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine

N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine (PubChem CID 62132256) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
PubChem CID62132256
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)c2ccc(F)cc2)cc1C
InChIInChI=1S/C17H21FN2O/c1-12-10-13(4-9-17(12)21-3)16(11-19)20(2)15-7-5-14(18)6-8-15/h4-10,16H,11,19H2,1-3H3
InChIKeyVRCHCGCACDAGHV-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 62121476
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983095
N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822245
1-(3-chloro-5-fluorophenyl)-N-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 114453362
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62132615
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 116911674
1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
CID 116905729
1-(3-chloro-5-fluorophenyl)-N-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 114453365
4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine
CID 115124095
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62133166

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine (CID 62132256) is N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine is COc1ccc(C(CN)N(C)c2ccc(F)cc2)cc1C.
What is the InChIKey of N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is VRCHCGCACDAGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12-10-13(4-9-17(12)21-3)16(11-19)20(2)15-7-5-14(18)6-8-15/h4-10,16H,11,19H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62132256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).