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

C16H27N3O2 — CID 106785344

IUPAC2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1ccc(CN)c(OC)c1
InChIInChI=1S/C16H27N3O2/c1-5-19(11-16(20)18-12(2)3)10-13-6-7-14(9-17)15(8-13)21-4/h6-8,12H,5,9-11,17H2,1-4H3,(H,18,20)
InChIKeyBYOANBBTQGFHIS-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.50
Rot. Bonds8

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

2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 106785344) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID106785344
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1ccc(CN)c(OC)c1
InChIInChI=1S/C16H27N3O2/c1-5-19(11-16(20)18-12(2)3)10-13-6-7-14(9-17)15(8-13)21-4/h6-8,12H,5,9-11,17H2,1-4H3,(H,18,20)
InChIKeyBYOANBBTQGFHIS-UHFFFAOYSA-N
XLogP1.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 106785478
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide
CID 65338614
2-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 47117609
2-[(3-amino-4-hydroxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 54985803
N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 46516037
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
2-[ethyl-[[4-(hydrazinecarbonyl)phenyl]methyl]amino]-N-propan-2-ylacetamide
CID 63584771
2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 64769835
3-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-ethylamino]propanoic acid
CID 84754920
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906572
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide (CID 106785344) is 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1ccc(CN)c(OC)c1.
What is the InChIKey of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is BYOANBBTQGFHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-19(11-16(20)18-12(2)3)10-13-6-7-14(9-17)15(8-13)21-4/h6-8,12H,5,9-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide?
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 293.41 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 106785344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).