2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide

C14H22ClN3O — CID 63081456

IUPAC2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(Cl)ccc1CN
InChIInChI=1S/C14H22ClN3O/c1-4-7-18(10-14(19)17(2)3)13-8-12(15)6-5-11(13)9-16/h5-6,8H,4,7,9-10,16H2,1-3H3
InChIKeyFBFOSEQQQKTHGY-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.10
Rot. Bonds6

About 2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide

2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide (PubChem CID 63081456) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
PubChem CID63081456
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(Cl)ccc1CN
InChIInChI=1S/C14H22ClN3O/c1-4-7-18(10-14(19)17(2)3)13-8-12(15)6-5-11(13)9-16/h5-6,8H,4,7,9-10,16H2,1-3H3
InChIKeyFBFOSEQQQKTHGY-UHFFFAOYSA-N
XLogP2.10
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide
CID 114849652
2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide
CID 81298979
2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108
2-[[3-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 54985030
2-(2-carbamothioyl-5-chloro-N-ethylanilino)-N,N-dimethylacetamide
CID 55181567
2-(2-amino-5-bromo-N-propylanilino)-N,N-dimethylacetamide
CID 65343338
ethyl 2-(5-chloro-2-nitro-N-propylanilino)acetate
CID 115472006
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide
CID 107878275
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
3-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106914437
2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide
CID 55181966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide (CID 63081456) is 2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1cc(Cl)ccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide?
The InChIKey is FBFOSEQQQKTHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-7-18(10-14(19)17(2)3)13-8-12(15)6-5-11(13)9-16/h5-6,8H,4,7,9-10,16H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide?
2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide has a molecular weight of 283.80 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide is sourced from PubChem (CID 63081456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).