N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide

C14H22N2O2 — CID 107937268

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide
SMILESCCCOCC(=O)N(C)Cc1ccccc1CN
InChIInChI=1S/C14H22N2O2/c1-3-8-18-11-14(17)16(2)10-13-7-5-4-6-12(13)9-15/h4-7H,3,8-11,15H2,1-2H3
InChIKeyUADXTEFRRQABDV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.53
Rot. Bonds7

About N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide

N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide (PubChem CID 107937268) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide
PubChem CID107937268
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide
SMILESCCCOCC(=O)N(C)Cc1ccccc1CN
InChIInChI=1S/C14H22N2O2/c1-3-8-18-11-14(17)16(2)10-13-7-5-4-6-12(13)9-15/h4-7H,3,8-11,15H2,1-2H3
InChIKeyUADXTEFRRQABDV-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-N-methyl-2-propoxyacetamide
CID 103633623
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea
CID 60922077
N-(3-aminopropyl)-N-(2-methylphenyl)-2-propoxyacetamide
CID 107937233
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide
CID 53185000
2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 81322313
2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 79463095
N-methyl-2-(2-phenylethoxy)-N-propylacetamide
CID 86872280
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
CID 55002605
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N-(2-aminopropyl)-N-methyl-2-propoxyacetamide
CID 107941599

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide (CID 107937268) is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide is CCCOCC(=O)N(C)Cc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide?
The InChIKey is UADXTEFRRQABDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-8-18-11-14(17)16(2)10-13-7-5-4-6-12(13)9-15/h4-7H,3,8-11,15H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.53, 7 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-methyl-2-propoxyacetamide is sourced from PubChem (CID 107937268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).