2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide

C14H22ClN3O — CID 63081108

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

About 2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide

2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide (PubChem CID 63081108) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
PubChem CID63081108
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cc(Cl)ccc1CN
InChIInChI=1S/C14H22ClN3O/c1-4-18(9-14(19)17-10(2)3)13-7-12(15)6-5-11(13)8-16/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyBLNWMIGMWMUDAH-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
2-[2-chloro-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-propan-2-ylacetamide
CID 63371225
2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
CID 63081456
2-(4-carbamothioyl-2-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 63087465
2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide
CID 113179672
2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide
CID 114879565
2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63082311
2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986481
2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
CID 171546068
2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 54985902

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide (CID 63081108) is 2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1cc(Cl)ccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide?
The InChIKey is BLNWMIGMWMUDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-18(9-14(19)17-10(2)3)13-7-12(15)6-5-11(13)8-16/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide?
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide has a molecular weight of 283.80 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 63081108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).