1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine

C15H22N2O2 — CID 107001864

IUPAC1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine
SMILESCCNC(Cc1ccc([N+](=O)[O-])cc1)C1CC1(C)C
InChIInChI=1S/C15H22N2O2/c1-4-16-14(13-10-15(13,2)3)9-11-5-7-12(8-6-11)17(18)19/h5-8,13-14,16H,4,9-10H2,1-3H3
InChIKeyCKSFTNLGTKEELV-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.16
Rot. Bonds6

About 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine

1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine (PubChem CID 107001864) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine
PubChem CID107001864
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine
SMILESCCNC(Cc1ccc([N+](=O)[O-])cc1)C1CC1(C)C
InChIInChI=1S/C15H22N2O2/c1-4-16-14(13-10-15(13,2)3)9-11-5-7-12(8-6-11)17(18)19/h5-8,13-14,16H,4,9-10H2,1-3H3
InChIKeyCKSFTNLGTKEELV-UHFFFAOYSA-N
XLogP3.16
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.16
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

N-ethyl-1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethanamine
CID 114825860
(2R)-2-(ethylamino)-3-(4-nitrophenyl)propan-1-ol;propane
CID 160747845
4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine
CID 61065009
N-ethyl-4-methyl-1-(4-nitrophenyl)hexan-2-amine
CID 114875092
N-[1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethyl]propan-1-amine
CID 114825861
N-ethyl-1-(4-methylthiophen-3-yl)-2-(4-nitrophenyl)ethanamine
CID 79802209
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755038
1-cyclopropyl-N-ethyl-2-(3-methyl-4-nitrophenyl)ethanamine
CID 63354874
N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine
CID 61064478
1-(4-nitrophenyl)-N-propylpentan-2-amine
CID 55138222
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfinylethanamine
CID 104754647
1-(5-bromothiophen-3-yl)-N-ethyl-2-(4-nitrophenyl)ethanamine
CID 107962847

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine (CID 107001864) is 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine is CCNC(Cc1ccc([N+](=O)[O-])cc1)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine?
The InChIKey is CKSFTNLGTKEELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-16-14(13-10-15(13,2)3)9-11-5-7-12(8-6-11)17(18)19/h5-8,13-14,16H,4,9-10H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine?
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 107001864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).