2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide

C16H26N2O2 — CID 81322315

IUPAC2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H26N2O2/c1-3-15(4-2)18(9-10-19)16(20)11-13-7-5-6-8-14(13)12-17/h5-8,15,19H,3-4,9-12,17H2,1-2H3
InChIKeyDBAMYUZMDMQNQL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.70
Rot. Bonds8

About 2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide

2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide (PubChem CID 81322315) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
PubChem CID81322315
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H26N2O2/c1-3-15(4-2)18(9-10-19)16(20)11-13-7-5-6-8-14(13)12-17/h5-8,15,19H,3-4,9-12,17H2,1-2H3
InChIKeyDBAMYUZMDMQNQL-UHFFFAOYSA-N
XLogP1.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107479418
3-amino-N-(2-hydroxyethyl)-N-pentan-3-yl-2-phenyl-3-sulfanylidenepropanamide
CID 62878262
N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 54994512
N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide
CID 63753493
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 81321874
N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide
CID 63754035
ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate
CID 106677068
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
CID 81312468
N-(2-hydroxyethyl)-3-(3-methylphenyl)-N-pentan-3-ylpropanamide
CID 62367281
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909
2-(ethylamino)-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 62175910

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide (CID 81322315) is 2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide is CCC(CC)N(CCO)C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
The InChIKey is DBAMYUZMDMQNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-15(4-2)18(9-10-19)16(20)11-13-7-5-6-8-14(13)12-17/h5-8,15,19H,3-4,9-12,17H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide?
2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 81322315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).