N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide

C14H22N2O2 — CID 113374706

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide
SMILESCCN(Cc1ccccc1CN)C(=O)C(C)OC
InChIInChI=1S/C14H22N2O2/c1-4-16(14(17)11(2)18-3)10-13-8-6-5-7-12(13)9-15/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyUMMFOFHKDZEUNO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.53
Rot. Bonds6

About N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide

N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide (PubChem CID 113374706) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide
PubChem CID113374706
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide
SMILESCCN(Cc1ccccc1CN)C(=O)C(C)OC
InChIInChI=1S/C14H22N2O2/c1-4-16(14(17)11(2)18-3)10-13-8-6-5-7-12(13)9-15/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyUMMFOFHKDZEUNO-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
CID 54939690
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
CID 60923256
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide
CID 112685872
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
CID 60921545
N-[2-(diethylaminomethyl)phenyl]-2-methoxypropanamide
CID 112685894
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide
CID 114818487
4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 120588742
2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 77144498
1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
CID 65278136

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide (CID 113374706) is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide is CCN(Cc1ccccc1CN)C(=O)C(C)OC.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide?
The InChIKey is UMMFOFHKDZEUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(14(17)11(2)18-3)10-13-8-6-5-7-12(13)9-15/h5-8,11H,4,9-10,15H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxypropanamide is sourced from PubChem (CID 113374706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).