2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide

C15H23ClN2O — CID 43346662

IUPAC2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C(C)Cl
InChIInChI=1S/C15H23ClN2O/c1-4-18(5-2)11-14-9-7-6-8-13(14)10-17-15(19)12(3)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyGHIBCTJJKRDVCO-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.77
Rot. Bonds7

About 2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide

2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide (PubChem CID 43346662) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
PubChem CID43346662
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C(C)Cl
InChIInChI=1S/C15H23ClN2O/c1-4-18(5-2)11-14-9-7-6-8-13(14)10-17-15(19)12(3)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyGHIBCTJJKRDVCO-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(diethylaminomethyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 114897128
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbutanamide
CID 61259162
4-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
CID 80542266
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119836094
2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
CID 82109945
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 55931991
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55818783
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide
CID 60676604
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-2-phenylpropanamide
CID 134022161
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide (CID 43346662) is 2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide is CCN(CC)Cc1ccccc1CNC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide?
The InChIKey is GHIBCTJJKRDVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-18(5-2)11-14-9-7-6-8-13(14)10-17-15(19)12(3)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide?
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide has a molecular weight of 282.81 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 43346662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).