(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine

C16H16ClNO — CID 105053279

IUPAC(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
SMILESCc1ccc(C(N)c2cccc3c2OCC3)cc1Cl
InChIInChI=1S/C16H16ClNO/c1-10-5-6-12(9-14(10)17)15(18)13-4-2-3-11-7-8-19-16(11)13/h2-6,9,15H,7-8,18H2,1H3
InChIKeyXTUTUZVRUBEDHS-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.63
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine

(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine (PubChem CID 105053279) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
PubChem CID105053279
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
SMILESCc1ccc(C(N)c2cccc3c2OCC3)cc1Cl
InChIInChI=1S/C16H16ClNO/c1-10-5-6-12(9-14(10)17)15(18)13-4-2-3-11-7-8-19-16(11)13/h2-6,9,15H,7-8,18H2,1H3
InChIKeyXTUTUZVRUBEDHS-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
(4-bromo-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049185
2,3-dihydro-1-benzofuran-7-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755970
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512
2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
CID 114745149
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine
CID 114744888
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
CID 105053341
2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105053233
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
CID 114744832
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105189386
(3-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 63194485

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine (CID 105053279) is (3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine is Cc1ccc(C(N)c2cccc3c2OCC3)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine?
The InChIKey is XTUTUZVRUBEDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-5-6-12(9-14(10)17)15(18)13-4-2-3-11-7-8-19-16(11)13/h2-6,9,15H,7-8,18H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine?
(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine has a molecular weight of 273.76 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine is sourced from PubChem (CID 105053279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).