2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine

C16H16ClNO — CID 63021612

IUPAC2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H16ClNO/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8,16H,7,9-10,18H2
InChIKeyJPVXDECTCOZRLY-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.61
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine

2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine (PubChem CID 63021612) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
PubChem CID63021612
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H16ClNO/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8,16H,7,9-10,18H2
InChIKeyJPVXDECTCOZRLY-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 63021274
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol
CID 65186364
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
CID 103214534
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1,3-dihydro-2-benzofuran
CID 63742340
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanamine
CID 63744022
2-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 115839714
1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
CID 81472195
1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
CID 63020921

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine (CID 63021612) is 2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine is NC(Cc1ccc(Cl)cc1)c1ccc2c(c1)COC2.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine?
The InChIKey is JPVXDECTCOZRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-15-5-1-11(2-6-15)7-16(18)12-3-4-13-9-19-10-14(13)8-12/h1-6,8,16H,7,9-10,18H2.
What are the key properties of 2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine?
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine has a molecular weight of 273.76 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 63021612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).