(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine

C18H21NO2 — CID 79218494

IUPAC(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCC1COc2ccccc21
InChIInChI=1S/C18H21NO2/c1-2-16(19)15-8-4-6-10-18(15)21-12-13-11-20-17-9-5-3-7-14(13)17/h3-10,13,16H,2,11-12,19H2,1H3/t13?,16-/m0/s1
InChIKeyQINKPKRRDJZXEM-VYIIXAMBSA-N
MW283.37 g/mol
LogP3.65
Rot. Bonds5

About (1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine

(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine (PubChem CID 79218494) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
PubChem CID79218494
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCC1COc2ccccc21
InChIInChI=1S/C18H21NO2/c1-2-16(19)15-8-4-6-10-18(15)21-12-13-11-20-17-9-5-3-7-14(13)17/h3-10,13,16H,2,11-12,19H2,1H3/t13?,16-/m0/s1
InChIKeyQINKPKRRDJZXEM-VYIIXAMBSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.65
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
(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218495
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771996
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
CID 79226564
1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107716051
1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone
CID 79218922

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine (CID 79218494) is (1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1OCC1COc2ccccc21.
What is the InChIKey of (1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine?
The InChIKey is QINKPKRRDJZXEM-VYIIXAMBSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-16(19)15-8-4-6-10-18(15)21-12-13-11-20-17-9-5-3-7-14(13)17/h3-10,13,16H,2,11-12,19H2,1H3/t13?,16-/m0/s1.
What are the key properties of (1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine?
(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 79218494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).