2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride

C14H21ClIN3O — CID 119926906

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(I)ccc1NC(=O)CN1CCCC1CN.Cl
InChIInChI=1S/C14H20IN3O.ClH/c1-10-7-11(15)4-5-13(10)17-14(19)9-18-6-2-3-12(18)8-16;/h4-5,7,12H,2-3,6,8-9,16H2,1H3,(H,17,19);1H
InChIKeyUVWQQOTVADMKPF-UHFFFAOYSA-N
MW409.70 g/mol
LogP2.38
Rot. Bonds4

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride (PubChem CID 119926906) has the molecular formula C14H21ClIN3O and a molecular weight of 409.70 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
PubChem CID119926906
Molecular FormulaC14H21ClIN3O
Molecular Weight409.70 g/mol
Exact Mass409.04
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(I)ccc1NC(=O)CN1CCCC1CN.Cl
InChIInChI=1S/C14H20IN3O.ClH/c1-10-7-11(15)4-5-13(10)17-14(19)9-18-6-2-3-12(18)8-16;/h4-5,7,12H,2-3,6,8-9,16H2,1H3,(H,17,19);1H
InChIKeyUVWQQOTVADMKPF-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.70
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882930
2-[2-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119916158
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 81493975
N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
CID 104689012
2-(4-amino-3-methylpiperidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
CID 119924876
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-bromo-2-methylphenyl)acetamide
CID 103441963
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119926972
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 62046547
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(4-amino-2-methylphenyl)acetamide
CID 65319594

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride (CID 119926906) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride is Cc1cc(I)ccc1NC(=O)CN1CCCC1CN.Cl.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride?
The InChIKey is UVWQQOTVADMKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O.ClH/c1-10-7-11(15)4-5-13(10)17-14(19)9-18-6-2-3-12(18)8-16;/h4-5,7,12H,2-3,6,8-9,16H2,1H3,(H,17,19);1H.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride has a molecular weight of 409.70 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119926906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).