(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine

C16H18N2O — CID 78978115

IUPAC(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCO2)c1ccccn1
InChIInChI=1S/C16H18N2O/c1-12(15-4-2-3-8-17-15)18-11-13-5-6-16-14(10-13)7-9-19-16/h2-6,8,10,12,18H,7,9,11H2,1H3/t12-/m0/s1
InChIKeyMZUDXQFTQNPOBN-LBPRGKRZSA-N
MW254.33 g/mol
LogP2.87
Rot. Bonds4

About (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine

(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine (PubChem CID 78978115) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine
PubChem CID78978115
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1ccc2c(c1)CCO2)c1ccccn1
InChIInChI=1S/C16H18N2O/c1-12(15-4-2-3-8-17-15)18-11-13-5-6-16-14(10-13)7-9-19-16/h2-6,8,10,12,18H,7,9,11H2,1H3/t12-/m0/s1
InChIKeyMZUDXQFTQNPOBN-LBPRGKRZSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 28649895
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804139
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
CID 93297893
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 81398895
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365243
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 61473085
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
(1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401977
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(furan-2-yl)butan-2-amine
CID 43804177
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 60945047
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 97217152

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine (CID 78978115) is (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine is C[C@H](NCc1ccc2c(c1)CCO2)c1ccccn1.
What is the InChIKey of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine?
The InChIKey is MZUDXQFTQNPOBN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(15-4-2-3-8-17-15)18-11-13-5-6-16-14(10-13)7-9-19-16/h2-6,8,10,12,18H,7,9,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine?
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine has a molecular weight of 254.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 78978115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).