2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine

C17H18ClNO — CID 79441587

IUPAC2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
SMILESNCC(CC1Cc2ccccc2O1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO/c18-15-7-5-12(6-8-15)14(11-19)10-16-9-13-3-1-2-4-17(13)20-16/h1-8,14,16H,9-11,19H2
InChIKeyMXMWIJOMTSOWLJ-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.78
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine

2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine (PubChem CID 79441587) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
PubChem CID79441587
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
SMILESNCC(CC1Cc2ccccc2O1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO/c18-15-7-5-12(6-8-15)14(11-19)10-16-9-13-3-1-2-4-17(13)20-16/h1-8,14,16H,9-11,19H2
InChIKeyMXMWIJOMTSOWLJ-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79435863
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79433736
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine
CID 70406652
[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 114322334
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine
CID 62233370
2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79431712
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine (CID 79441587) is 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine is NCC(CC1Cc2ccccc2O1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is MXMWIJOMTSOWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-15-7-5-12(6-8-15)14(11-19)10-16-9-13-3-1-2-4-17(13)20-16/h1-8,14,16H,9-11,19H2.
What are the key properties of 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine?
2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 287.79 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 79441587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).