1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine

C17H18ClNO — CID 43804139

IUPAC1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
SMILESCC(NCc1ccc2c(c1)CCO2)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO/c1-12(15-4-2-3-5-16(15)18)19-11-13-6-7-17-14(10-13)8-9-20-17/h2-7,10,12,19H,8-9,11H2,1H3
InChIKeyWBSLKFNTMJNUDG-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.13
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine

1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine (PubChem CID 43804139) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
PubChem CID43804139
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
SMILESCC(NCc1ccc2c(c1)CCO2)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO/c1-12(15-4-2-3-5-16(15)18)19-11-13-6-7-17-14(10-13)8-9-20-17/h2-7,10,12,19H,8-9,11H2,1H3
InChIKeyWBSLKFNTMJNUDG-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81375305
(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81378308
(1R)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81377994
1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804303
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 78978115
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365243
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 81398895
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline
CID 43804020
2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 78903826
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 61473085
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
CID 93297893
1-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482503

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine (CID 43804139) is 1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine is CC(NCc1ccc2c(c1)CCO2)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine?
The InChIKey is WBSLKFNTMJNUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12(15-4-2-3-5-16(15)18)19-11-13-6-7-17-14(10-13)8-9-20-17/h2-7,10,12,19H,8-9,11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine?
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine has a molecular weight of 287.79 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine is sourced from PubChem (CID 43804139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).