N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline

C17H18IN — CID 43124478

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
SMILESCC(Nc1cccc(I)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18IN/c1-12(19-17-7-3-6-16(18)11-17)14-9-8-13-4-2-5-15(13)10-14/h3,6-12,19H,2,4-5H2,1H3
InChIKeyUTUWYNWNRPIQHM-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.95
Rot. Bonds3

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline (PubChem CID 43124478) has the molecular formula C17H18IN and a molecular weight of 363.24 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
PubChem CID43124478
Molecular FormulaC17H18IN
Molecular Weight363.24 g/mol
Exact Mass363.05
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
SMILESCC(Nc1cccc(I)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18IN/c1-12(19-17-7-3-6-16(18)11-17)14-9-8-13-4-2-5-15(13)10-14/h3,6-12,19H,2,4-5H2,1H3
InChIKeyUTUWYNWNRPIQHM-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.95
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-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline
CID 43773391
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridin-3-amine
CID 43200742
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
CID 43096117
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiophen-3-amine
CID 66352791
2-chloro-4-iodo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63445713
N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43096931
3,5-dichloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-fluoroaniline
CID 107572608
2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol
CID 61088523
2-methyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]phenol
CID 107699751
2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline
CID 66254017
2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile
CID 43347921

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline (CID 43124478) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline is CC(Nc1cccc(I)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline?
The InChIKey is UTUWYNWNRPIQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18IN/c1-12(19-17-7-3-6-16(18)11-17)14-9-8-13-4-2-5-15(13)10-14/h3,6-12,19H,2,4-5H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline has a molecular weight of 363.24 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline is sourced from PubChem (CID 43124478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).