1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine

C17H21IN2 — CID 43779637

IUPAC1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NC(C)c1ccc(I)cc1
InChIInChI=1S/C17H21IN2/c1-12-11-16(20(3)4)9-10-17(12)19-13(2)14-5-7-15(18)8-6-14/h5-11,13,19H,1-4H3
InChIKeyZHEZSNFFTQNNTR-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.84
Rot. Bonds4

About 1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine

1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine (PubChem CID 43779637) has the molecular formula C17H21IN2 and a molecular weight of 380.27 g/mol. Its IUPAC name is 1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
PubChem CID43779637
Molecular FormulaC17H21IN2
Molecular Weight380.27 g/mol
Exact Mass380.07
IUPAC Name1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NC(C)c1ccc(I)cc1
InChIInChI=1S/C17H21IN2/c1-12-11-16(20(3)4)9-10-17(12)19-13(2)14-5-7-15(18)8-6-14/h5-11,13,19H,1-4H3
InChIKeyZHEZSNFFTQNNTR-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N,2-trimethyl-1-N-[1-(1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 115916628
3-[1-[4-(dimethylamino)-2-methylanilino]ethyl]benzonitrile
CID 43779661
4-iodo-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43717037
1-N-[1-(furan-2-yl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43677033
1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 103388013
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
4-N,4-N,2-trimethyl-1-N-(2-methylpentan-3-yl)benzene-1,4-diamine
CID 43779641
1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115916626
2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43758692
2,4-dibromo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780861
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 83069132
4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 62091392

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine (CID 43779637) is 1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine is Cc1cc(N(C)C)ccc1NC(C)c1ccc(I)cc1.
What is the InChIKey of 1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The InChIKey is ZHEZSNFFTQNNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN2/c1-12-11-16(20(3)4)9-10-17(12)19-13(2)14-5-7-15(18)8-6-14/h5-11,13,19H,1-4H3.
What are the key properties of 1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine has a molecular weight of 380.27 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-iodophenyl)ethyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine is sourced from PubChem (CID 43779637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).