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

C14H20N2O — CID 62501487

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ccc(CCN)cc1
InChIInChI=1S/C14H20N2O/c1-10-8-13(10)14(17)16-9-12-4-2-11(3-5-12)6-7-15/h2-5,10,13H,6-9,15H2,1H3,(H,16,17)
InChIKeyAEFSZLIZEJEACK-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.46
Rot. Bonds5

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

N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 62501487) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
PubChem CID62501487
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ccc(CCN)cc1
InChIInChI=1S/C14H20N2O/c1-10-8-13(10)14(17)16-9-12-4-2-11(3-5-12)6-7-15/h2-5,10,13H,6-9,15H2,1H3,(H,16,17)
InChIKeyAEFSZLIZEJEACK-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
N-[[4-(bromomethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 107233713
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 25344132
N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
CID 42953153
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31592161
2-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 18119455
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47292025
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4,6-trimethyloxane-4-carboxamide;hydrochloride
CID 154577907

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide (CID 62501487) is N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCc1ccc(CCN)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is AEFSZLIZEJEACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-8-13(10)14(17)16-9-12-4-2-11(3-5-12)6-7-15/h2-5,10,13H,6-9,15H2,1H3,(H,16,17).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 62501487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).