N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C16H15ClN2O2 — CID 102772891

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESClc1cc2c(cc1NC1CCc3cccnc31)OCCO2
InChIInChI=1S/C16H15ClN2O2/c17-11-8-14-15(21-7-6-20-14)9-13(11)19-12-4-3-10-2-1-5-18-16(10)12/h1-2,5,8-9,12,19H,3-4,6-7H2
InChIKeyTVZXWBQUYWMSKB-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.61
Rot. Bonds2

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102772891) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102772891
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESClc1cc2c(cc1NC1CCc3cccnc31)OCCO2
InChIInChI=1S/C16H15ClN2O2/c17-11-8-14-15(21-7-6-20-14)9-13(11)19-12-4-3-10-2-1-5-18-16(10)12/h1-2,5,8-9,12,19H,3-4,6-7H2
InChIKeyTVZXWBQUYWMSKB-UHFFFAOYSA-N
XLogP3.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674585
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772549
N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774228
N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 114259315
6-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 81233576
N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774191
N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-4,5-dihydro-1,3-oxazol-2-amine
CID 129368297
N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079828
N-(3-chloro-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774146
2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102773264
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783640
N-(2,5-difluorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079820

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102772891) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is Clc1cc2c(cc1NC1CCc3cccnc31)OCCO2.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is TVZXWBQUYWMSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-11-8-14-15(21-7-6-20-14)9-13(11)19-12-4-3-10-2-1-5-18-16(10)12/h1-2,5,8-9,12,19H,3-4,6-7H2.
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 302.76 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102772891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).