N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C13H18N2O — CID 43297869

IUPACN-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1C)c1ccccc1N
InChIInChI=1S/C13H18N2O/c1-8-7-11(8)13(16)15-9(2)10-5-3-4-6-12(10)14/h3-6,8-9,11H,7,14H2,1-2H3,(H,15,16)
InChIKeyQBLOTQSGPRFHJZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.10
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 43297869) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID43297869
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1C)c1ccccc1N
InChIInChI=1S/C13H18N2O/c1-8-7-11(8)13(16)15-9(2)10-5-3-4-6-12(10)14/h3-6,8-9,11H,7,14H2,1-2H3,(H,15,16)
InChIKeyQBLOTQSGPRFHJZ-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
CID 43297876
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922406
cis-(1R,2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922138
N-[1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 6469818
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 27450935
3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea
CID 40601139
cis-(1S,2R)-2-methyl-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51416074
cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31200966
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 43297869) is N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide is CC(NC(=O)C1CC1C)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is QBLOTQSGPRFHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-7-11(8)13(16)15-9(2)10-5-3-4-6-12(10)14/h3-6,8-9,11H,7,14H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43297869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).