N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine

C13H16ClNO — CID 115714285

IUPACN-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine
SMILESClc1cccc2c1CCC2NC1CCOC1
InChIInChI=1S/C13H16ClNO/c14-12-3-1-2-11-10(12)4-5-13(11)15-9-6-7-16-8-9/h1-3,9,13,15H,4-8H2
InChIKeyVJVAQXFZRJUJPG-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.71
Rot. Bonds2

About N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine

N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine (PubChem CID 115714285) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine
PubChem CID115714285
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine
SMILESClc1cccc2c1CCC2NC1CCOC1
InChIInChI=1S/C13H16ClNO/c14-12-3-1-2-11-10(12)4-5-13(11)15-9-6-7-16-8-9/h1-3,9,13,15H,4-8H2
InChIKeyVJVAQXFZRJUJPG-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine
CID 103901793
N-(1,2,3,4-tetrahydronaphthalen-1-yl)oxolan-3-amine
CID 63331677
N-(2,3-dihydro-1H-inden-1-yl)oxan-3-amine
CID 63359821
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
N-(2,3-dichlorophenyl)oxolan-3-amine
CID 63331897
N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982525
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)oxolan-3-amine
CID 80713583
N-(oxolan-3-yl)-9H-xanthen-9-amine
CID 80718486
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine
CID 103911458
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
CID 115763577
N-cyclooctyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065945

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine?
The IUPAC name of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine (CID 115714285) is N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine.
What is the SMILES notation for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine?
The canonical SMILES for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine is Clc1cccc2c1CCC2NC1CCOC1.
What is the InChIKey of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine?
The InChIKey is VJVAQXFZRJUJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-12-3-1-2-11-10(12)4-5-13(11)15-9-6-7-16-8-9/h1-3,9,13,15H,4-8H2.
What are the key properties of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine?
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine has a molecular weight of 237.73 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine is sourced from PubChem (CID 115714285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).