N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine

C18H21ClN2O2 — CID 51086846

IUPACN-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccccn1)Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C18H21ClN2O2/c1-13(2)21(10-17-5-3-4-6-20-17)9-14-7-16(19)8-15-11-22-12-23-18(14)15/h3-8,13H,9-12H2,1-2H3
InChIKeyGUBWNJRZMLATQZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.01
Rot. Bonds5

About N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine

N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine (PubChem CID 51086846) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine
PubChem CID51086846
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccccn1)Cc1cc(Cl)cc2c1OCOC2
InChIInChI=1S/C18H21ClN2O2/c1-13(2)21(10-17-5-3-4-6-20-17)9-14-7-16(19)8-15-11-22-12-23-18(14)15/h3-8,13H,9-12H2,1-2H3
InChIKeyGUBWNJRZMLATQZ-UHFFFAOYSA-N
XLogP4.01
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine with MolForge

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Related Compounds

N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine
CID 60516856
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686621
4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine
CID 97237765
8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline
CID 112819128
(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-diethylazanium chloride
CID 18528283
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 9286967
3-[[propan-2-yl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43460245
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485502
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 101339503

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine (CID 51086846) is N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine is CC(C)N(Cc1ccccn1)Cc1cc(Cl)cc2c1OCOC2.
What is the InChIKey of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine?
The InChIKey is GUBWNJRZMLATQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13(2)21(10-17-5-3-4-6-20-17)9-14-7-16(19)8-15-11-22-12-23-18(14)15/h3-8,13H,9-12H2,1-2H3.
What are the key properties of N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine?
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine has a molecular weight of 332.83 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 51086846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).