2-fluoro-4-methoxy-5-(2-phenylethyl)aniline

C15H16FNO — CID 58021975

IUPAC2-fluoro-4-methoxy-5-(2-phenylethyl)aniline
SMILESCOc1cc(F)c(N)cc1CCc1ccccc1
InChIInChI=1S/C15H16FNO/c1-18-15-10-13(16)14(17)9-12(15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,17H2,1H3
InChIKeyMNFMPLHUXWSBCJ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.20
Rot. Bonds4

About 2-fluoro-4-methoxy-5-(2-phenylethyl)aniline

2-fluoro-4-methoxy-5-(2-phenylethyl)aniline (PubChem CID 58021975) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-5-(2-phenylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-methoxy-5-(2-phenylethyl)aniline
PubChem CID58021975
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-fluoro-4-methoxy-5-(2-phenylethyl)aniline
SMILESCOc1cc(F)c(N)cc1CCc1ccccc1
InChIInChI=1S/C15H16FNO/c1-18-15-10-13(16)14(17)9-12(15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,17H2,1H3
InChIKeyMNFMPLHUXWSBCJ-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
4,5-dimethoxy-2-(2-phenylethyl)phenol
CID 174923457
4-fluoro-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
CID 169091123
2,5-difluoro-4-methoxyaniline
CID 45090681
1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
CID 174438503
(5-amino-2-fluoro-4-methoxyphenyl)methanol
CID 170335540
1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 62866029
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-fluoro-5-methoxy-1-N-methyl-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 107258842
2-fluoro-4-methoxy-5-methylaniline
CID 89371124
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-5-(2-phenylethyl)aniline?
The IUPAC name of 2-fluoro-4-methoxy-5-(2-phenylethyl)aniline (CID 58021975) is 2-fluoro-4-methoxy-5-(2-phenylethyl)aniline.
What is the SMILES notation for 2-fluoro-4-methoxy-5-(2-phenylethyl)aniline?
The canonical SMILES for 2-fluoro-4-methoxy-5-(2-phenylethyl)aniline is COc1cc(F)c(N)cc1CCc1ccccc1.
What is the InChIKey of 2-fluoro-4-methoxy-5-(2-phenylethyl)aniline?
The InChIKey is MNFMPLHUXWSBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-18-15-10-13(16)14(17)9-12(15)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,17H2,1H3.
What are the key properties of 2-fluoro-4-methoxy-5-(2-phenylethyl)aniline?
2-fluoro-4-methoxy-5-(2-phenylethyl)aniline has a molecular weight of 245.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-5-(2-phenylethyl)aniline is sourced from PubChem (CID 58021975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).