3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine

C19H24IN — CID 79424302

IUPAC3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(I)cc1)c1ccccc1C
InChIInChI=1S/C19H24IN/c1-3-12-21-14-17(19-7-5-4-6-15(19)2)13-16-8-10-18(20)11-9-16/h4-11,17,21H,3,12-14H2,1-2H3
InChIKeyBMPDBWDLAHFBDJ-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.93
Rot. Bonds7

About 3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine

3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine (PubChem CID 79424302) has the molecular formula C19H24IN and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine
PubChem CID79424302
Molecular FormulaC19H24IN
Molecular Weight393.31 g/mol
Exact Mass393.10
IUPAC Name3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(I)cc1)c1ccccc1C
InChIInChI=1S/C19H24IN/c1-3-12-21-14-17(19-7-5-4-6-15(19)2)13-16-8-10-18(20)11-9-16/h4-11,17,21H,3,12-14H2,1-2H3
InChIKeyBMPDBWDLAHFBDJ-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421243
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424300
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
CID 79421664
2-(4-bromophenyl)-3-(4-iodophenyl)-N-propylpropan-1-amine
CID 79431636
2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79420864
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79436263
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
2-(2-methylphenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730104
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine (CID 79424302) is 3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine is CCCNCC(Cc1ccc(I)cc1)c1ccccc1C.
What is the InChIKey of 3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is BMPDBWDLAHFBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24IN/c1-3-12-21-14-17(19-7-5-4-6-15(19)2)13-16-8-10-18(20)11-9-16/h4-11,17,21H,3,12-14H2,1-2H3.
What are the key properties of 3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine?
3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 393.31 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 79424302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).