(3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine

C16H18INO — CID 14950285

IUPAC(3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine
SMILESCc1cc(I)ccc1O[C@H](CCN)c1ccccc1
InChIInChI=1S/C16H18INO/c1-12-11-14(17)7-8-15(12)19-16(9-10-18)13-5-3-2-4-6-13/h2-8,11,16H,9-10,18H2,1H3/t16-/m1/s1
InChIKeyXZHNMGMPHRYYFL-MRXNPFEDSA-N
MW367.23 g/mol
LogP4.07
Rot. Bonds5

About (3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine

(3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine (PubChem CID 14950285) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is (3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine
PubChem CID14950285
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC Name(3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine
SMILESCc1cc(I)ccc1O[C@H](CCN)c1ccccc1
InChIInChI=1S/C16H18INO/c1-12-11-14(17)7-8-15(12)19-16(9-10-18)13-5-3-2-4-6-13/h2-8,11,16H,9-10,18H2,1H3/t16-/m1/s1
InChIKeyXZHNMGMPHRYYFL-MRXNPFEDSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine?
The IUPAC name of (3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine (CID 14950285) is (3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine.
What is the SMILES notation for (3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine?
The canonical SMILES for (3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine is Cc1cc(I)ccc1O[C@H](CCN)c1ccccc1.
What is the InChIKey of (3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine?
The InChIKey is XZHNMGMPHRYYFL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18INO/c1-12-11-14(17)7-8-15(12)19-16(9-10-18)13-5-3-2-4-6-13/h2-8,11,16H,9-10,18H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine?
(3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine has a molecular weight of 367.23 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine is sourced from PubChem (CID 14950285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).