1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine

C13H20IN3 — CID 81464187

IUPAC1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2ccc(N)cc2I)CC1N(C)C
InChIInChI=1S/C13H20IN3/c1-9-7-17(8-13(9)16(2)3)12-5-4-10(15)6-11(12)14/h4-6,9,13H,7-8,15H2,1-3H3
InChIKeyGCOFWUXQNWONIZ-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.26
Rot. Bonds2

About 1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine

1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81464187) has the molecular formula C13H20IN3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81464187
Molecular FormulaC13H20IN3
Molecular Weight345.23 g/mol
Exact Mass345.07
IUPAC Name1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2ccc(N)cc2I)CC1N(C)C
InChIInChI=1S/C13H20IN3/c1-9-7-17(8-13(9)16(2)3)12-5-4-10(15)6-11(12)14/h4-6,9,13H,7-8,15H2,1-3H3
InChIKeyGCOFWUXQNWONIZ-UHFFFAOYSA-N
XLogP2.26
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethyl-p-phenylenediamine hydrochloride
CID 75145
N,N'-bis(1,4-dimethylpentyl)-p-phenylenediamine
CID 18320
4-(4-Ethylpiperazin-1-yl)aniline
CID 936738
N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine
CID 93335
4-(4-Methylpiperazin-1-yl)aniline
CID 737253
(S)-(+)-2-(Anilinomethyl)pyrrolidine
CID 6950385
N-[2-(pyrrolidin-1-yl)ethyl]aniline
CID 22026053
1,4-Benzenediamine, N1-(1,4-dimethylpentyl)-
CID 6454574
4-(4-Methylpiperidin-1-yl)aniline
CID 605442
4-(Pyrrolidin-1-yl)aniline
CID 808841
N1-ethyl-N1-isopropylbenzene-1,4-diamine
CID 688603

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine (CID 81464187) is 1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(c2ccc(N)cc2I)CC1N(C)C.
What is the InChIKey of 1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is GCOFWUXQNWONIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3/c1-9-7-17(8-13(9)16(2)3)12-5-4-10(15)6-11(12)14/h4-6,9,13H,7-8,15H2,1-3H3.
What are the key properties of 1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine?
1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 345.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81464187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).