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

C14H18ClNO — CID 81300825

IUPAC5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCC1CCCO1)C2
InChIInChI=1S/C14H18ClNO/c15-12-4-3-10-7-13(8-11(10)6-12)16-9-14-2-1-5-17-14/h3-4,6,13-14,16H,1-2,5,7-9H2
InChIKeyHKVCSXZBMDYSPO-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.58
Rot. Bonds3

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

5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 81300825) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID81300825
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCC1CCCO1)C2
InChIInChI=1S/C14H18ClNO/c15-12-4-3-10-7-13(8-11(10)6-12)16-9-14-2-1-5-17-14/h3-4,6,13-14,16H,1-2,5,7-9H2
InChIKeyHKVCSXZBMDYSPO-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348749
5-chloro-N-(2-cyclohexylethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348932
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)oxolan-3-amine
CID 115349140
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 81337822
5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
CID 81300469
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-[(2-bromo-4-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 81495268
5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 81301364
2-(4-chlorophenyl)-2-cyclopropyl-2-(oxolan-2-ylmethylamino)ethanol
CID 61049380
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
6-chloro-N-(oxolan-2-ylmethyl)cinnolin-4-amine
CID 75537562
5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 115348711

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 81300825) is 5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine is Clc1ccc2c(c1)CC(NCC1CCCO1)C2.
What is the InChIKey of 5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is HKVCSXZBMDYSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-4-3-10-7-13(8-11(10)6-12)16-9-14-2-1-5-17-14/h3-4,6,13-14,16H,1-2,5,7-9H2.
What are the key properties of 5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 251.76 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81300825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).