(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine

C17H18ClNO2 — CID 79218495

IUPAC(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Cl)ccc1OCC1COc2ccccc21
InChIInChI=1S/C17H18ClNO2/c1-11(19)15-8-13(18)6-7-17(15)21-10-12-9-20-16-5-3-2-4-14(12)16/h2-8,11-12H,9-10,19H2,1H3/t11-,12?/m1/s1
InChIKeyWJSDVDGBPPGIKV-JHJMLUEUSA-N
MW303.79 g/mol
LogP3.91
Rot. Bonds4

About (1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine

(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine (PubChem CID 79218495) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
PubChem CID79218495
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Cl)ccc1OCC1COc2ccccc21
InChIInChI=1S/C17H18ClNO2/c1-11(19)15-8-13(18)6-7-17(15)21-10-12-9-20-16-5-3-2-4-14(12)16/h2-8,11-12H,9-10,19H2,1H3/t11-,12?/m1/s1
InChIKeyWJSDVDGBPPGIKV-JHJMLUEUSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218487
1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107716051
(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
CID 79218494
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
CID 79226564
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine
CID 107692566
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79226329
4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorobenzenecarbothioamide
CID 107665832
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine (CID 79218495) is (1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine is C[C@@H](N)c1cc(Cl)ccc1OCC1COc2ccccc21.
What is the InChIKey of (1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is WJSDVDGBPPGIKV-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11(19)15-8-13(18)6-7-17(15)21-10-12-9-20-16-5-3-2-4-14(12)16/h2-8,11-12H,9-10,19H2,1H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine?
(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 303.79 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 79218495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).