1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine

C16H17FN2O2 — CID 65017658

IUPAC1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(CC(N)Cc2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H17FN2O2/c1-11-3-2-4-12(7-11)8-15(18)10-13-9-14(17)5-6-16(13)19(20)21/h2-7,9,15H,8,10,18H2,1H3
InChIKeyOEBGQODLJATESE-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.15
Rot. Bonds5

About 1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine

1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine (PubChem CID 65017658) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine
PubChem CID65017658
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(CC(N)Cc2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H17FN2O2/c1-11-3-2-4-12(7-11)8-15(18)10-13-9-14(17)5-6-16(13)19(20)21/h2-7,9,15H,8,10,18H2,1H3
InChIKeyOEBGQODLJATESE-UHFFFAOYSA-N
XLogP3.15
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-2-nitrophenyl)-4-methylpentan-2-amine
CID 65020156
1-(4-bromophenyl)-3-(5-fluoro-2-nitrophenyl)propan-2-amine
CID 65018015
1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine
CID 79556514
methyl 3-amino-4-(5-fluoro-2-nitrophenyl)butanoate
CID 138688284
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 65018067
1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine
CID 63199917
1-[1-[(5-fluoro-2-nitrophenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 66399693
N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylpropan-2-amine
CID 63012971
1-(5-fluoro-2-nitrophenyl)-4-methylpentan-3-amine
CID 43443720
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43443606
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine (CID 65017658) is 1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine is Cc1cccc(CC(N)Cc2cc(F)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine?
The InChIKey is OEBGQODLJATESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-3-2-4-12(7-11)8-15(18)10-13-9-14(17)5-6-16(13)19(20)21/h2-7,9,15H,8,10,18H2,1H3.
What are the key properties of 1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine?
1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine has a molecular weight of 288.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 65017658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).