(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine

C16H16ClNO2 — CID 105006924

IUPAC(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCOc1cc(C(N)c2ccc3c(c2)CCO3)ccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-19-15-9-12(2-4-13(15)17)16(18)11-3-5-14-10(8-11)6-7-20-14/h2-5,8-9,16H,6-7,18H2,1H3
InChIKeyNFMKXNRCINAZGT-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.33
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine

(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 105006924) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID105006924
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCOc1cc(C(N)c2ccc3c(c2)CCO3)ccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-19-15-9-12(2-4-13(15)17)16(18)11-3-5-14-10(8-11)6-7-20-14/h2-5,8-9,16H,6-7,18H2,1H3
InChIKeyNFMKXNRCINAZGT-UHFFFAOYSA-N
XLogP3.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine
CID 106791668
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027
(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 104817396
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81284360
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 62199757
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
CID 104542714
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 105006924) is (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is COc1cc(C(N)c2ccc3c(c2)CCO3)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is NFMKXNRCINAZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-19-15-9-12(2-4-13(15)17)16(18)11-3-5-14-10(8-11)6-7-20-14/h2-5,8-9,16H,6-7,18H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 289.76 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 105006924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).