(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine

C16H18INO — CID 105018125

IUPAC(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccccc1C(N)c1ccc(I)cc1
InChIInChI=1S/C16H18INO/c1-11(2)19-15-6-4-3-5-14(15)16(18)12-7-9-13(17)10-8-12/h3-11,16H,18H2,1-2H3
InChIKeySCFQMMLAROFQGP-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.13
Rot. Bonds4

About (4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine

(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 105018125) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is (4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine
PubChem CID105018125
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC Name(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccccc1C(N)c1ccc(I)cc1
InChIInChI=1S/C16H18INO/c1-11(2)19-15-6-4-3-5-14(15)16(18)12-7-9-13(17)10-8-12/h3-11,16H,18H2,1-2H3
InChIKeySCFQMMLAROFQGP-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107503067
(2-chlorophenyl)-(4-iodophenyl)methanamine
CID 115800922
(2-bromo-3,4-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107538588
(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150760
(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 106692739
(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018279
(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823656
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
(1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 105170979
(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018161

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine (CID 105018125) is (4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccccc1C(N)c1ccc(I)cc1.
What is the InChIKey of (4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is SCFQMMLAROFQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO/c1-11(2)19-15-6-4-3-5-14(15)16(18)12-7-9-13(17)10-8-12/h3-11,16H,18H2,1-2H3.
What are the key properties of (4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine?
(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 367.23 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105018125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).