(4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H18N2O2 — CID 99778869

IUPAC(4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cncc(OCCN[C@@H]2CCCc3occc32)c1
InChIInChI=1S/C15H18N2O2/c1-4-14(13-6-9-19-15(13)5-1)17-8-10-18-12-3-2-7-16-11-12/h2-3,6-7,9,11,14,17H,1,4-5,8,10H2/t14-/m1/s1
InChIKeyDYPPTAZHRIENKY-CQSZACIVSA-N
MW258.32 g/mol
LogP2.72
Rot. Bonds5

About (4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

(4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 99778869) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound Name(4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID99778869
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cncc(OCCN[C@@H]2CCCc3occc32)c1
InChIInChI=1S/C15H18N2O2/c1-4-14(13-6-9-19-15(13)5-1)17-8-10-18-12-3-2-7-16-11-12/h2-3,6-7,9,11,14,17H,1,4-5,8,10H2/t14-/m1/s1
InChIKeyDYPPTAZHRIENKY-CQSZACIVSA-N
XLogP2.72
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466439
N-[2-[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]ethyl]pyridine-3-sulfonamide
CID 99837876
N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315171
1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927702
N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine;2,2,2-trifluoroacetic acid
CID 166199669
(4R)-N-[2-(2-methylsulfonylethoxy)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 124625423
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
CID 115466341
N-(1,2-oxazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106415750
N-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]methanesulfonamide
CID 113315133
4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol
CID 115466423

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of (4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 99778869) is (4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for (4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for (4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1cncc(OCCN[C@@H]2CCCc3occc32)c1.
What is the InChIKey of (4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is DYPPTAZHRIENKY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-14(13-6-9-19-15(13)5-1)17-8-10-18-12-3-2-7-16-11-12/h2-3,6-7,9,11,14,17H,1,4-5,8,10H2/t14-/m1/s1.
What are the key properties of (4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
(4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 99778869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).