2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide

C14H21ClN2O3 — CID 65225475

IUPAC2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1cc(NC(=O)C(CN)C(C)C)c(OC)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-8(2)9(7-16)14(18)17-11-6-12(19-3)10(15)5-13(11)20-4/h5-6,8-9H,7,16H2,1-4H3,(H,17,18)
InChIKeyDJVDYGJDVBTSSS-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.53
Rot. Bonds6

About 2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide

2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide (PubChem CID 65225475) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
PubChem CID65225475
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1cc(NC(=O)C(CN)C(C)C)c(OC)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-8(2)9(7-16)14(18)17-11-6-12(19-3)10(15)5-13(11)20-4/h5-6,8-9H,7,16H2,1-4H3,(H,17,18)
InChIKeyDJVDYGJDVBTSSS-UHFFFAOYSA-N
XLogP2.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
CID 81081918
(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide
CID 9181052
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
1-(4-chloro-2,5-dimethoxyphenyl)-3-(methoxymethyl)urea
CID 110676079

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide (CID 65225475) is 2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide is COc1cc(NC(=O)C(CN)C(C)C)c(OC)cc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide?
The InChIKey is DJVDYGJDVBTSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-8(2)9(7-16)14(18)17-11-6-12(19-3)10(15)5-13(11)20-4/h5-6,8-9H,7,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide?
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide has a molecular weight of 300.79 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 65225475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).