N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine

C17H20IN — CID 43769130

IUPACN-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine
SMILESCC(CNC(C)c1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C17H20IN/c1-13(15-6-4-3-5-7-15)12-19-14(2)16-8-10-17(18)11-9-16/h3-11,13-14,19H,12H2,1-2H3
InChIKeyUYKYDMGJUZPVPA-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.75
Rot. Bonds5

About N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine

N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine (PubChem CID 43769130) has the molecular formula C17H20IN and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine
PubChem CID43769130
Molecular FormulaC17H20IN
Molecular Weight365.26 g/mol
Exact Mass365.06
IUPAC NameN-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine
SMILESCC(CNC(C)c1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C17H20IN/c1-13(15-6-4-3-5-7-15)12-19-14(2)16-8-10-17(18)11-9-16/h3-11,13-14,19H,12H2,1-2H3
InChIKeyUYKYDMGJUZPVPA-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.75
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-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 43097751
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 63451569
N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol
CID 66175909
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
2-[1-(4-iodophenyl)ethylamino]acetic acid
CID 43774198

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine (CID 43769130) is N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine is CC(CNC(C)c1ccc(I)cc1)c1ccccc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine?
The InChIKey is UYKYDMGJUZPVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN/c1-13(15-6-4-3-5-7-15)12-19-14(2)16-8-10-17(18)11-9-16/h3-11,13-14,19H,12H2,1-2H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine?
N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine has a molecular weight of 365.26 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 43769130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).