N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine

C15H22N2O2 — CID 63355424

IUPACN-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc([N+](=O)[O-])cc1C)C1CC1
InChIInChI=1S/C15H22N2O2/c1-3-8-16-15(12-4-5-12)10-13-6-7-14(17(18)19)9-11(13)2/h6-7,9,12,15-16H,3-5,8,10H2,1-2H3
InChIKeySXLIJCLJTDLULI-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.22
Rot. Bonds7

About N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine (PubChem CID 63355424) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine
PubChem CID63355424
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc([N+](=O)[O-])cc1C)C1CC1
InChIInChI=1S/C15H22N2O2/c1-3-8-16-15(12-4-5-12)10-13-6-7-14(17(18)19)9-11(13)2/h6-7,9,12,15-16H,3-5,8,10H2,1-2H3
InChIKeySXLIJCLJTDLULI-UHFFFAOYSA-N
XLogP3.22
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.22
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

3-(2-bromo-4-nitrophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63354973
1-(2-bromo-2-cyclopropylethyl)-2-methyl-4-nitrobenzene
CID 63353578
N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine
CID 63355187
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine
CID 63355258
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
3-(4-bromo-2-nitrophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 114382016
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
1-(2-fluoro-4-nitrophenyl)-N-propylpropan-2-amine
CID 63200211
1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine
CID 63355442
N-[1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethyl]propan-1-amine
CID 114825861

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine (CID 63355424) is N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc([N+](=O)[O-])cc1C)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine?
The InChIKey is SXLIJCLJTDLULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-8-16-15(12-4-5-12)10-13-6-7-14(17(18)19)9-11(13)2/h6-7,9,12,15-16H,3-5,8,10H2,1-2H3.
What are the key properties of N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63355424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).