2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine

C14H20N2O3 — CID 103700101

IUPAC2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine
SMILESCOc1ccc(CNC(C)(C)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-14(2,11-5-6-11)15-9-10-4-7-13(19-3)12(8-10)16(17)18/h4,7-8,11,15H,5-6,9H2,1-3H3
InChIKeySGIFFIGNMBILES-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.88
Rot. Bonds6

About 2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine

2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine (PubChem CID 103700101) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine
PubChem CID103700101
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine
SMILESCOc1ccc(CNC(C)(C)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-14(2,11-5-6-11)15-9-10-4-7-13(19-3)12(8-10)16(17)18/h4,7-8,11,15H,5-6,9H2,1-3H3
InChIKeySGIFFIGNMBILES-UHFFFAOYSA-N
XLogP2.88
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine
CID 65039851
3-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylbutan-1-ol
CID 111469020
4-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
CID 29053395
2-[(4-methoxy-3-nitrophenyl)methylamino]-2-methylpentan-1-ol
CID 111432912
4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
CID 11735902
N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881430
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
CID 83013842
N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908275
1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol
CID 111425458
N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870600
tert-butyl N-[(4-methoxy-3-nitrophenyl)methyl]carbamate
CID 22981317
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine (CID 103700101) is 2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine is COc1ccc(CNC(C)(C)C2CC2)cc1[N+](=O)[O-].
What is the InChIKey of 2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine?
The InChIKey is SGIFFIGNMBILES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,11-5-6-11)15-9-10-4-7-13(19-3)12(8-10)16(17)18/h4,7-8,11,15H,5-6,9H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine?
2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine has a molecular weight of 264.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine is sourced from PubChem (CID 103700101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).