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

C18H22IN — CID 63449736

IUPACN-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NC(C)c1ccc(I)cc1
InChIInChI=1S/C18H22IN/c1-13-6-4-5-7-17(13)12-14(2)20-15(3)16-8-10-18(19)11-9-16/h4-11,14-15,20H,12H2,1-3H3
InChIKeyBGVYDYRQNPNZMZ-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.88
Rot. Bonds5

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

N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 63449736) has the molecular formula C18H22IN and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID63449736
Molecular FormulaC18H22IN
Molecular Weight379.29 g/mol
Exact Mass379.08
IUPAC NameN-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NC(C)c1ccc(I)cc1
InChIInChI=1S/C18H22IN/c1-13-6-4-5-7-17(13)12-14(2)20-15(3)16-8-10-18(19)11-9-16/h4-11,14-15,20H,12H2,1-3H3
InChIKeyBGVYDYRQNPNZMZ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.88
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

N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 103779314
N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 60943739
N-[1-(4-iodophenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721846
1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
CID 43783490
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine
CID 115713787
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828627
N-[1-(4-iodophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64631396
5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
CID 78948571
1-iodo-4-[(2-methylphenyl)methyl]benzene
CID 67085401

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine (CID 63449736) is N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(C)NC(C)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is BGVYDYRQNPNZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22IN/c1-13-6-4-5-7-17(13)12-14(2)20-15(3)16-8-10-18(19)11-9-16/h4-11,14-15,20H,12H2,1-3H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 379.29 g/mol, XLogP of 4.88, 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]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 63449736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).