N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline

C14H13ClIN — CID 43088325

IUPACN-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
SMILESCC(Nc1cccc(I)c1)c1ccccc1Cl
InChIInChI=1S/C14H13ClIN/c1-10(13-7-2-3-8-14(13)15)17-12-6-4-5-11(16)9-12/h2-10,17H,1H3
InChIKeyMUUQZQPCXJHHIV-UHFFFAOYSA-N
MW357.62 g/mol
LogP5.12
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline

N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline (PubChem CID 43088325) has the molecular formula C14H13ClIN and a molecular weight of 357.62 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
PubChem CID43088325
Molecular FormulaC14H13ClIN
Molecular Weight357.62 g/mol
Exact Mass356.98
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
SMILESCC(Nc1cccc(I)c1)c1ccccc1Cl
InChIInChI=1S/C14H13ClIN/c1-10(13-7-2-3-8-14(13)15)17-12-6-4-5-11(16)9-12/h2-10,17H,1H3
InChIKeyMUUQZQPCXJHHIV-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.62
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 55132685
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492
N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline
CID 114079472
3-N-[1-(2-chlorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647468
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide
CID 103930892
N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazol-5-amine
CID 154860585

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline (CID 43088325) is N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline is CC(Nc1cccc(I)c1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline?
The InChIKey is MUUQZQPCXJHHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClIN/c1-10(13-7-2-3-8-14(13)15)17-12-6-4-5-11(16)9-12/h2-10,17H,1H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline?
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline has a molecular weight of 357.62 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline is sourced from PubChem (CID 43088325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).