N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine

C13H16ClNO — CID 115349140

IUPACN-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine
SMILESClc1ccc2c(c1)CC(NC1CCOC1)C2
InChIInChI=1S/C13H16ClNO/c14-11-2-1-9-6-13(7-10(9)5-11)15-12-3-4-16-8-12/h1-2,5,12-13,15H,3-4,6-8H2
InChIKeyMZUDVAHQPKMUFC-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.19
Rot. Bonds2

About N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine

N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine (PubChem CID 115349140) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine
PubChem CID115349140
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine
SMILESClc1ccc2c(c1)CC(NC1CCOC1)C2
InChIInChI=1S/C13H16ClNO/c14-11-2-1-9-6-13(7-10(9)5-11)15-12-3-4-16-8-12/h1-2,5,12-13,15H,3-4,6-8H2
InChIKeyMZUDVAHQPKMUFC-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-methylpiperidin-4-amine
CID 81300742
3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol
CID 81328885
5-chloro-N-(4-propylcyclohexyl)-2,3-dihydro-1H-inden-2-amine
CID 115348993
5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81300825
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1,2-dimethylpiperidin-4-amine
CID 81343630
5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-methylpiperidin-2-one
CID 81339258
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348749
5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
CID 81300469
(6S)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 97389869
5-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-inden-2-amine
CID 115349079
(6R)-6-[[(3S)-oxolan-3-yl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 97389868
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine (CID 115349140) is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine is Clc1ccc2c(c1)CC(NC1CCOC1)C2.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine?
The InChIKey is MZUDVAHQPKMUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-2-1-9-6-13(7-10(9)5-11)15-12-3-4-16-8-12/h1-2,5,12-13,15H,3-4,6-8H2.
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine?
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine has a molecular weight of 237.73 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine is sourced from PubChem (CID 115349140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).