2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide

C14H21N3O — CID 43575631

IUPAC2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1ccccc1CN
InChIInChI=1S/C14H21N3O/c1-17(10-14(18)16-13-6-7-13)9-12-5-3-2-4-11(12)8-15/h2-5,13H,6-10,15H2,1H3,(H,16,18)
InChIKeyJSFVJNISMRCAIB-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.86
Rot. Bonds6

About 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide

2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide (PubChem CID 43575631) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
PubChem CID43575631
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1ccccc1CN
InChIInChI=1S/C14H21N3O/c1-17(10-14(18)16-13-6-7-13)9-12-5-3-2-4-11(12)8-15/h2-5,13H,6-10,15H2,1H3,(H,16,18)
InChIKeyJSFVJNISMRCAIB-UHFFFAOYSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-6-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 104824355
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide
CID 81321943
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
2-[(3-amino-2-phenylpropyl)-methylamino]-N-cyclopropylacetamide
CID 43575619
N-cyclopropyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62035342
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 43248801
N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide
CID 106993665
2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 55241095
2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 81117715
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide (CID 43575631) is 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)Cc1ccccc1CN.
What is the InChIKey of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is JSFVJNISMRCAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(10-14(18)16-13-6-7-13)9-12-5-3-2-4-11(12)8-15/h2-5,13H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide?
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 247.34 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43575631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).