1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine

C13H17FN2O2 — CID 107350060

IUPAC1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1cccc([N+](=O)[O-])c1F)C1CC1
InChIInChI=1S/C13H17FN2O2/c1-15-11(9-5-6-9)8-7-10-3-2-4-12(13(10)14)16(17)18/h2-4,9,11,15H,5-8H2,1H3
InChIKeyVCCOFLUHIISMBY-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.66
Rot. Bonds6

About 1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine

1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine (PubChem CID 107350060) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine
PubChem CID107350060
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1cccc([N+](=O)[O-])c1F)C1CC1
InChIInChI=1S/C13H17FN2O2/c1-15-11(9-5-6-9)8-7-10-3-2-4-12(13(10)14)16(17)18/h2-4,9,11,15H,5-8H2,1H3
InChIKeyVCCOFLUHIISMBY-UHFFFAOYSA-N
XLogP2.66
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.66
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-cyclopropyl-N-methyl-3-(2-nitrophenyl)propan-1-amine
CID 63354955
1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine
CID 63355466
1-(3-chloro-3-cyclopropylpropyl)-2-fluoro-3-nitrobenzene
CID 107350564
1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol
CID 107350527
1-(2-fluoro-3-nitrophenyl)-N,5-dimethylhexan-3-amine
CID 107350066
(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349341
1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine
CID 63355442
1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine
CID 115554145
2-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350116
1-(3-chloro-3-phenylpropyl)-2-fluoro-3-nitrobenzene
CID 107350532
N-ethyl-4-(2-fluoro-3-nitrophenyl)-1-methoxybutan-2-amine
CID 107350053
3-[(2-fluoro-3-nitrophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 107350057

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine (CID 107350060) is 1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine is CNC(CCc1cccc([N+](=O)[O-])c1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine?
The InChIKey is VCCOFLUHIISMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-15-11(9-5-6-9)8-7-10-3-2-4-12(13(10)14)16(17)18/h2-4,9,11,15H,5-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine?
1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine has a molecular weight of 252.29 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 107350060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).