N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide

C13H18N2O — CID 16794453

IUPACN-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(N)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C13H18N2O/c1-8-7-12(8)13(16)15-11-5-3-10(4-6-11)9(2)14/h3-6,8-9,12H,7,14H2,1-2H3,(H,15,16)
InChIKeyUEOIJIJKCSFQPQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.30
Rot. Bonds3

About N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide

N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 16794453) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID16794453
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(N)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C13H18N2O/c1-8-7-12(8)13(16)15-11-5-3-10(4-6-11)9(2)14/h3-6,8-9,12H,7,14H2,1-2H3,(H,15,16)
InChIKeyUEOIJIJKCSFQPQ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 43508348
2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
CID 43507733
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 106910392
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299958
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142356
N-[4-(1-aminoethyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395901
3,4-dimethyl-6-[(4-propan-2-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3561187
N-[4-(2-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299297
N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114681075

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 16794453) is N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide is CC(N)c1ccc(NC(=O)C2CC2C)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is UEOIJIJKCSFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-7-12(8)13(16)15-11-5-3-10(4-6-11)9(2)14/h3-6,8-9,12H,7,14H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 16794453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).