(1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine

C17H20N2O3 — CID 95586358

IUPAC(1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCOc1cc(CN[C@H](C)c2ccncc2)cc2c1OCCO2
InChIInChI=1S/C17H20N2O3/c1-12(14-3-5-18-6-4-14)19-11-13-9-15(20-2)17-16(10-13)21-7-8-22-17/h3-6,9-10,12,19H,7-8,11H2,1-2H3/t12-/m1/s1
InChIKeyUFZXZUXLAKJGNX-GFCCVEGCSA-N
MW300.36 g/mol
LogP2.71
Rot. Bonds5

About (1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine

(1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 95586358) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID95586358
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCOc1cc(CN[C@H](C)c2ccncc2)cc2c1OCCO2
InChIInChI=1S/C17H20N2O3/c1-12(14-3-5-18-6-4-14)19-11-13-9-15(20-2)17-16(10-13)21-7-8-22-17/h3-6,9-10,12,19H,7-8,11H2,1-2H3/t12-/m1/s1
InChIKeyUFZXZUXLAKJGNX-GFCCVEGCSA-N
XLogP2.71
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

(1S)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395702
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]propan-2-amine
CID 60657642
(1R)-1-(3,4-difluorophenyl)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
CID 41117256
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841336
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598633
2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 28644929
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115623172
(1S)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405385
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60590247
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
CID 94600233
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine
CID 46970550
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine (CID 95586358) is (1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine is COc1cc(CN[C@H](C)c2ccncc2)cc2c1OCCO2.
What is the InChIKey of (1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is UFZXZUXLAKJGNX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(14-3-5-18-6-4-14)19-11-13-9-15(20-2)17-16(10-13)21-7-8-22-17/h3-6,9-10,12,19H,7-8,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 300.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 95586358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).