4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide

C13H18N2O — CID 177148394

IUPAC4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(N)CC2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-15-13(16)11-6-4-10(5-7-11)12(14)8-9-2-3-9/h4-7,9,12H,2-3,8,14H2,1H3,(H,15,16)
InChIKeyXAANJAIWDWBRNP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.85
Rot. Bonds4

About 4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide

4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide (PubChem CID 177148394) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide
PubChem CID177148394
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(N)CC2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-15-13(16)11-6-4-10(5-7-11)12(14)8-9-2-3-9/h4-7,9,12H,2-3,8,14H2,1H3,(H,15,16)
InChIKeyXAANJAIWDWBRNP-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-cyclopropylpropan-2-ylamino)-N-methylbenzamide
CID 113489746
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
CID 150978200
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
4-(1-amino-2-cyclobutylethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 91193641
(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide
CID 69116094

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide?
The IUPAC name of 4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide (CID 177148394) is 4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide.
What is the SMILES notation for 4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide?
The canonical SMILES for 4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide is CNC(=O)c1ccc(C(N)CC2CC2)cc1.
What is the InChIKey of 4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide?
The InChIKey is XAANJAIWDWBRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-13(16)11-6-4-10(5-7-11)12(14)8-9-2-3-9/h4-7,9,12H,2-3,8,14H2,1H3,(H,15,16).
What are the key properties of 4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide?
4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-cyclopropylethyl)-N-methylbenzamide is sourced from PubChem (CID 177148394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).