2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide

C15H25N3O2 — CID 65338614

IUPAC2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCOc1ccc(CN(C)CC(=O)NC(C)C)cc1CN
InChIInChI=1S/C15H25N3O2/c1-11(2)17-15(19)10-18(3)9-12-5-6-14(20-4)13(7-12)8-16/h5-7,11H,8-10,16H2,1-4H3,(H,17,19)
InChIKeyDNMSHMKSTXEFLK-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.11
Rot. Bonds7

About 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide

2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 65338614) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID65338614
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCOc1ccc(CN(C)CC(=O)NC(C)C)cc1CN
InChIInChI=1S/C15H25N3O2/c1-11(2)17-15(19)10-18(3)9-12-5-6-14(20-4)13(7-12)8-16/h5-7,11H,8-10,16H2,1-4H3,(H,17,19)
InChIKeyDNMSHMKSTXEFLK-UHFFFAOYSA-N
XLogP1.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 106788145
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 106785344
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 65340742
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011
N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
CID 8844824
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9058250

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide (CID 65338614) is 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide is COc1ccc(CN(C)CC(=O)NC(C)C)cc1CN.
What is the InChIKey of 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is DNMSHMKSTXEFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)17-15(19)10-18(3)9-12-5-6-14(20-4)13(7-12)8-16/h5-7,11H,8-10,16H2,1-4H3,(H,17,19).
What are the key properties of 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide?
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 279.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 65338614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).