3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine

C18H20ClNO — CID 104845232

IUPAC3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(Cc1cc(Cl)cc2c1OCC2)C(N)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-12(17(20)13-5-3-2-4-6-13)9-15-11-16(19)10-14-7-8-21-18(14)15/h2-6,10-12,17H,7-9,20H2,1H3
InChIKeyOHZWUYOXCLCNRB-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.15
Rot. Bonds4

About 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine

3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine (PubChem CID 104845232) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine
PubChem CID104845232
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(Cc1cc(Cl)cc2c1OCC2)C(N)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-12(17(20)13-5-3-2-4-6-13)9-15-11-16(19)10-14-7-8-21-18(14)15/h2-6,10-12,17H,7-9,20H2,1H3
InChIKeyOHZWUYOXCLCNRB-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 105031480
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,3-dimethylphenyl)ethanamine
CID 105031528
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-thiophen-3-ylethanamine
CID 113403542
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylsulfanylpropan-2-amine
CID 113403571
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105031485
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105178387
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 105031502
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 105031533
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 105178427

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine (CID 104845232) is 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine is CC(Cc1cc(Cl)cc2c1OCC2)C(N)c1ccccc1.
What is the InChIKey of 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine?
The InChIKey is OHZWUYOXCLCNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12(17(20)13-5-3-2-4-6-13)9-15-11-16(19)10-14-7-8-21-18(14)15/h2-6,10-12,17H,7-9,20H2,1H3.
What are the key properties of 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine?
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine has a molecular weight of 301.82 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 104845232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).