3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine

C16H18IN — CID 79417014

IUPAC3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2ccc(I)cc2)c1
InChIInChI=1S/C16H18IN/c1-12-3-2-4-14(9-12)15(11-18)10-13-5-7-16(17)8-6-13/h2-9,15H,10-11,18H2,1H3
InChIKeyHKZDEGGGPYXFRL-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.88
Rot. Bonds4

About 3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine

3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine (PubChem CID 79417014) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is 3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
PubChem CID79417014
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2ccc(I)cc2)c1
InChIInChI=1S/C16H18IN/c1-12-3-2-4-14(9-12)15(11-18)10-13-5-7-16(17)8-6-13/h2-9,15H,10-11,18H2,1H3
InChIKeyHKZDEGGGPYXFRL-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.88
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

2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
CID 79440307
2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79422480
2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 79422492
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973436
1-[3-bromo-2-(3-methylphenyl)propyl]-4-propan-2-ylbenzene
CID 79423568
3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416744
2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82870488
2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79416650
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine (CID 79417014) is 3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine is Cc1cccc(C(CN)Cc2ccc(I)cc2)c1.
What is the InChIKey of 3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine?
The InChIKey is HKZDEGGGPYXFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-12-3-2-4-14(9-12)15(11-18)10-13-5-7-16(17)8-6-13/h2-9,15H,10-11,18H2,1H3.
What are the key properties of 3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine?
3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine has a molecular weight of 351.23 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79417014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).