N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide

C14H20N2O — CID 107000562

IUPACN-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(N)c1ccccc1NC(=O)C1CC1(C)C
InChIInChI=1S/C14H20N2O/c1-9(15)10-6-4-5-7-12(10)16-13(17)11-8-14(11,2)3/h4-7,9,11H,8,15H2,1-3H3,(H,16,17)
InChIKeyNXQJJBYDKXJWOT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.69
Rot. Bonds3

About N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107000562) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107000562
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(N)c1ccccc1NC(=O)C1CC1(C)C
InChIInChI=1S/C14H20N2O/c1-9(15)10-6-4-5-7-12(10)16-13(17)11-8-14(11,2)3/h4-7,9,11H,8,15H2,1-3H3,(H,16,17)
InChIKeyNXQJJBYDKXJWOT-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107176029
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176027
N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65156905
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623
N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103841304
N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103578310
(1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 154751085
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107800827
N-[2-(1-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114304921
N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000204
N-[2-(1-chloroethyl)phenyl]cyclobutanecarboxamide
CID 114304919
1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
CID 43437759

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 107000562) is N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide is CC(N)c1ccccc1NC(=O)C1CC1(C)C.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is NXQJJBYDKXJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(15)10-6-4-5-7-12(10)16-13(17)11-8-14(11,2)3/h4-7,9,11H,8,15H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107000562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).