N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine

C18H25ClN2O3 — CID 120913891

IUPACN-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESClc1cc(CNC2CCCC2C2COCCN2)cc2c1OCCO2
InChIInChI=1S/C18H25ClN2O3/c19-14-8-12(9-17-18(14)24-7-6-23-17)10-21-15-3-1-2-13(15)16-11-22-5-4-20-16/h8-9,13,15-16,20-21H,1-7,10-11H2
InChIKeyPKBJWRONDXJJCE-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.36
Rot. Bonds4

About N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120913891) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120913891
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC NameN-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESClc1cc(CNC2CCCC2C2COCCN2)cc2c1OCCO2
InChIInChI=1S/C18H25ClN2O3/c19-14-8-12(9-17-18(14)24-7-6-23-17)10-21-15-3-1-2-13(15)16-11-22-5-4-20-16/h8-9,13,15-16,20-21H,1-7,10-11H2
InChIKeyPKBJWRONDXJJCE-UHFFFAOYSA-N
XLogP2.36
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine with MolForge

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Related Compounds

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylcyclopentan-1-amine
CID 55173003
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]oxan-3-amine
CID 63360473
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopentanamine
CID 43087524
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119720719
N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915744
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclohexanamine
CID 43216998
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclooctanamine
CID 43217019
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915033
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329
2-morpholin-3-yl-N-[[4-(phenoxymethyl)phenyl]methyl]cyclopentan-1-amine
CID 120916161

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120913891) is N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine is Clc1cc(CNC2CCCC2C2COCCN2)cc2c1OCCO2.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is PKBJWRONDXJJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c19-14-8-12(9-17-18(14)24-7-6-23-17)10-21-15-3-1-2-13(15)16-11-22-5-4-20-16/h8-9,13,15-16,20-21H,1-7,10-11H2.
What are the key properties of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 352.86 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120913891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).