N-[1-(4-ethylphenyl)propyl]-4-iodoaniline

C17H20IN — CID 43310116

IUPACN-[1-(4-ethylphenyl)propyl]-4-iodoaniline
SMILESCCc1ccc(C(CC)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C17H20IN/c1-3-13-5-7-14(8-6-13)17(4-2)19-16-11-9-15(18)10-12-16/h5-12,17,19H,3-4H2,1-2H3
InChIKeyFNTQYJCGSMSZFN-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.42
Rot. Bonds5

About N-[1-(4-ethylphenyl)propyl]-4-iodoaniline

N-[1-(4-ethylphenyl)propyl]-4-iodoaniline (PubChem CID 43310116) has the molecular formula C17H20IN and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)propyl]-4-iodoaniline.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)propyl]-4-iodoaniline
PubChem CID43310116
Molecular FormulaC17H20IN
Molecular Weight365.26 g/mol
Exact Mass365.06
IUPAC NameN-[1-(4-ethylphenyl)propyl]-4-iodoaniline
SMILESCCc1ccc(C(CC)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C17H20IN/c1-3-13-5-7-14(8-6-13)17(4-2)19-16-11-9-15(18)10-12-16/h5-12,17,19H,3-4H2,1-2H3
InChIKeyFNTQYJCGSMSZFN-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.42
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

3-(4-ethylanilino)-1-(4-ethylphenyl)-3-(4-iodophenyl)propan-1-one
CID 4010443
3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
CID 63464250
2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
CID 107678033
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688
N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732589
1-(4-ethylphenyl)-N-phenylethane-1,2-diamine
CID 65382327
1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine
CID 43543260
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
CID 107803713
3-[1-(4-ethylphenyl)propylamino]benzonitrile
CID 43309948
4-ethyl-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43097077
N-[1-(4-ethylphenyl)propyl]-2-methylaniline
CID 43309999

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)propyl]-4-iodoaniline?
The IUPAC name of N-[1-(4-ethylphenyl)propyl]-4-iodoaniline (CID 43310116) is N-[1-(4-ethylphenyl)propyl]-4-iodoaniline.
What is the SMILES notation for N-[1-(4-ethylphenyl)propyl]-4-iodoaniline?
The canonical SMILES for N-[1-(4-ethylphenyl)propyl]-4-iodoaniline is CCc1ccc(C(CC)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)propyl]-4-iodoaniline?
The InChIKey is FNTQYJCGSMSZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN/c1-3-13-5-7-14(8-6-13)17(4-2)19-16-11-9-15(18)10-12-16/h5-12,17,19H,3-4H2,1-2H3.
What are the key properties of N-[1-(4-ethylphenyl)propyl]-4-iodoaniline?
N-[1-(4-ethylphenyl)propyl]-4-iodoaniline has a molecular weight of 365.26 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)propyl]-4-iodoaniline is sourced from PubChem (CID 43310116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).