2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide

C15H23ClN2O — CID 107470943

IUPAC2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
SMILESCc1c(Cl)cccc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-10-12(16)6-5-7-13(10)18-14(19)11(9-17)8-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyMAISPDUBAXCDGG-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.60
Rot. Bonds4

About 2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide (PubChem CID 107470943) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
PubChem CID107470943
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
SMILESCc1c(Cl)cccc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-10-12(16)6-5-7-13(10)18-14(19)11(9-17)8-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyMAISPDUBAXCDGG-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide
CID 112517469
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide
CID 107471421
2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide
CID 107472859
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide
CID 107471470
2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
CID 107470936
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide
CID 107471228

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide (CID 107470943) is 2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide is Cc1c(Cl)cccc1NC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide?
The InChIKey is MAISPDUBAXCDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10-12(16)6-5-7-13(10)18-14(19)11(9-17)8-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide has a molecular weight of 282.81 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107470943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).