2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide

C15H25N3O — CID 54939161

IUPAC2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccccc1CN
InChIInChI=1S/C15H25N3O/c1-4-18(5-2)15(19)12-17(3)11-14-9-7-6-8-13(14)10-16/h6-9H,4-5,10-12,16H2,1-3H3
InChIKeyBWNGUFJNQROTEE-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.45
Rot. Bonds7

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

2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide (PubChem CID 54939161) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
PubChem CID54939161
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1ccccc1CN
InChIInChI=1S/C15H25N3O/c1-4-18(5-2)15(19)12-17(3)11-14-9-7-6-8-13(14)10-16/h6-9H,4-5,10-12,16H2,1-3H3
InChIKeyBWNGUFJNQROTEE-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 115462716
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 64770089
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909
2-[[2-(aminomethyl)-3-pyridinyl]methyl-methylamino]-N,N-diethylacetamide
CID 62893303
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
2-[(3-chloro-2-hydroxyphenyl)methyl-methylamino]-N,N-diethylacetamide
CID 112553294
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 107878250
2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide
CID 61452012
N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
CID 54939690
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345821
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
CID 81311740

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide (CID 54939161) is 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)Cc1ccccc1CN.
What is the InChIKey of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide?
The InChIKey is BWNGUFJNQROTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-18(5-2)15(19)12-17(3)11-14-9-7-6-8-13(14)10-16/h6-9H,4-5,10-12,16H2,1-3H3.
What are the key properties of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide?
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 54939161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).