(1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine

C15H15ClN2O2 — CID 81401977

IUPAC(1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1cc(Cl)c2c(c1)OCO2)c1ccccn1
InChIInChI=1S/C15H15ClN2O2/c1-10(13-4-2-3-5-17-13)18-8-11-6-12(16)15-14(7-11)19-9-20-15/h2-7,10,18H,8-9H2,1H3/t10-/m1/s1
InChIKeyMEYZNNVUDIPUST-SNVBAGLBSA-N
MW290.75 g/mol
LogP3.31
Rot. Bonds4

About (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine

(1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 81401977) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID81401977
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name(1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1cc(Cl)c2c(c1)OCO2)c1ccccn1
InChIInChI=1S/C15H15ClN2O2/c1-10(13-4-2-3-5-17-13)18-8-11-6-12(16)15-14(7-11)19-9-20-15/h2-7,10,18H,8-9H2,1H3/t10-/m1/s1
InChIKeyMEYZNNVUDIPUST-SNVBAGLBSA-N
XLogP3.31
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 28649895
(1S)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405385
(1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81370891
(1S)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81402685
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 43217095
(1S)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395702
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 78978115
1-(7-chloro-1,3-benzodioxol-5-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731707
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61473177
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine (CID 81401977) is (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine is C[C@@H](NCc1cc(Cl)c2c(c1)OCO2)c1ccccn1.
What is the InChIKey of (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is MEYZNNVUDIPUST-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10(13-4-2-3-5-17-13)18-8-11-6-12(16)15-14(7-11)19-9-20-15/h2-7,10,18H,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 290.75 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 81401977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).