2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide

C16H27N3O — CID 81321874

IUPAC2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
SMILESCCCN(CCN(C)C)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H27N3O/c1-4-9-19(11-10-18(2)3)16(20)12-14-7-5-6-8-15(14)13-17/h5-8H,4,9-13,17H2,1-3H3
InChIKeyRQWJALBYGVVNMX-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.49
Rot. Bonds8

About 2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide

2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide (PubChem CID 81321874) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
PubChem CID81321874
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
SMILESCCCN(CCN(C)C)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H27N3O/c1-4-9-19(11-10-18(2)3)16(20)12-14-7-5-6-8-15(14)13-17/h5-8H,4,9-13,17H2,1-3H3
InChIKeyRQWJALBYGVVNMX-UHFFFAOYSA-N
XLogP1.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
CID 112568579
2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107398398
N-(2-aminoethyl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 61349722
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
CID 60656670
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80740760
2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81312040

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide (CID 81321874) is 2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide is CCCN(CCN(C)C)C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide?
The InChIKey is RQWJALBYGVVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-9-19(11-10-18(2)3)16(20)12-14-7-5-6-8-15(14)13-17/h5-8H,4,9-13,17H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide?
2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide has a molecular weight of 277.41 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide is sourced from PubChem (CID 81321874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).