4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine

C15H17FN2O — CID 63676241

IUPAC4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC(C)c2ccccc2F)ccc1N
InChIInChI=1S/C15H17FN2O/c1-10(12-5-3-4-6-13(12)16)18-11-7-8-14(17)15(9-11)19-2/h3-10,18H,17H2,1-2H3
InChIKeyAXDWKBFABDSJOX-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.59
Rot. Bonds4

About 4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine

4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine (PubChem CID 63676241) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine
PubChem CID63676241
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC(C)c2ccccc2F)ccc1N
InChIInChI=1S/C15H17FN2O/c1-10(12-5-3-4-6-13(12)16)18-11-7-8-14(17)15(9-11)19-2/h3-10,18H,17H2,1-2H3
InChIKeyAXDWKBFABDSJOX-UHFFFAOYSA-N
XLogP3.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43193828
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
CID 104782521
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
3-chloro-N-[1-(2-fluorophenyl)ethyl]-4-propan-2-yloxyaniline
CID 43727176
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
N-[1-(2-fluorophenyl)ethyl]quinoxalin-6-amine
CID 60943140
N-[1-(2-fluorophenyl)ethyl]-2-methoxy-5-nitroaniline
CID 43717791
N-[1-(2-fluorophenyl)ethyl]-2-methoxy-4-nitroaniline
CID 43720078
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine (CID 63676241) is 4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine is COc1cc(NC(C)c2ccccc2F)ccc1N.
What is the InChIKey of 4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine?
The InChIKey is AXDWKBFABDSJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10(12-5-3-4-6-13(12)16)18-11-7-8-14(17)15(9-11)19-2/h3-10,18H,17H2,1-2H3.
What are the key properties of 4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine?
4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine has a molecular weight of 260.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 63676241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).