(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine

C14H16ClNO2 — CID 106692739

IUPAC(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccccc1C(N)c1ccoc1Cl
InChIInChI=1S/C14H16ClNO2/c1-9(2)18-12-6-4-3-5-10(12)13(16)11-7-8-17-14(11)15/h3-9,13H,16H2,1-2H3
InChIKeyPLXYHDHWEIMSTA-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.77
Rot. Bonds4

About (2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine

(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 106692739) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine
PubChem CID106692739
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccccc1C(N)c1ccoc1Cl
InChIInChI=1S/C14H16ClNO2/c1-9(2)18-12-6-4-3-5-10(12)13(16)11-7-8-17-14(11)15/h3-9,13H,16H2,1-2H3
InChIKeyPLXYHDHWEIMSTA-UHFFFAOYSA-N
XLogP3.77
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 106691908
(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018279
(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018161
(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107503067
(1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 105170979
(2-bromo-3,4-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107538588
(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018125
3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105170945
(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine (CID 106692739) is (2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccccc1C(N)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is PLXYHDHWEIMSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9(2)18-12-6-4-3-5-10(12)13(16)11-7-8-17-14(11)15/h3-9,13H,16H2,1-2H3.
What are the key properties of (2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine?
(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 265.74 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 106692739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).