3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate

C15H24N2O2 — CID 82533390

IUPAC3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate
SMILESCCC(=O)OCCCNCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-15(18)19-11-5-10-16-12-13-6-8-14(9-7-13)17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
InChIKeyNFVZVQFSHWNTPZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds8

About 3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate

3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate (PubChem CID 82533390) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate
PubChem CID82533390
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate
SMILESCCC(=O)OCCCNCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-15(18)19-11-5-10-16-12-13-6-8-14(9-7-13)17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
InChIKeyNFVZVQFSHWNTPZ-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(dimethylamino)phenyl]methylamino]ethyl acetate
CID 82533397
4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207022
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600
2-(benzylamino)ethyl propanoate
CID 10988499
N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
CID 17290940
3-(2-phenylethylamino)propyl propanoate
CID 82532105
3-[(4-chlorophenyl)methylamino]propyl 2-methoxyacetate
CID 82533468
3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate
CID 82533370
2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate
CID 139785604
N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
CID 11562024
N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide
CID 78922185

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate (CID 82533390) is 3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate is CCC(=O)OCCCNCc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate?
The InChIKey is NFVZVQFSHWNTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-15(18)19-11-5-10-16-12-13-6-8-14(9-7-13)17(2)3/h6-9,16H,4-5,10-12H2,1-3H3.
What are the key properties of 3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate?
3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate has a molecular weight of 264.37 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate is sourced from PubChem (CID 82533390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).