2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide

C15H23IN2O — CID 107471361

IUPAC2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
SMILESCc1cc(I)ccc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H23IN2O/c1-10-7-12(16)5-6-13(10)18-14(19)11(9-17)8-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyOJNBDDUHMDMQMT-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.55
Rot. Bonds4

About 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide (PubChem CID 107471361) has the molecular formula C15H23IN2O and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
PubChem CID107471361
Molecular FormulaC15H23IN2O
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC Name2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
SMILESCc1cc(I)ccc1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H23IN2O/c1-10-7-12(16)5-6-13(10)18-14(19)11(9-17)8-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyOJNBDDUHMDMQMT-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide
CID 107471421
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride
CID 119955707
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 81075652
2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide
CID 107471101
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
CID 107701269
(2S)-2-amino-N-(4-iodo-2-methylphenyl)-4-phenylbutanamide
CID 104983994
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
CID 107472380
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
2-[2-(aminomethyl)butanoylamino]-5-iodobenzoic acid
CID 65228642

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide (CID 107471361) is 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide is Cc1cc(I)ccc1NC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide?
The InChIKey is OJNBDDUHMDMQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O/c1-10-7-12(16)5-6-13(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-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide has a molecular weight of 374.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107471361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).