4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine

C10H12ClNO — CID 55272709

IUPAC4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1Cl)CCC2N
InChIInChI=1S/C10H12ClNO/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5,8H,2,4,12H2,1H3
InChIKeyGHGXOTINTLOATN-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.29
Rot. Bonds1

About 4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine

4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 55272709) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID55272709
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1Cl)CCC2N
InChIInChI=1S/C10H12ClNO/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5,8H,2,4,12H2,1H3
InChIKeyGHGXOTINTLOATN-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine
CID 130765822
(1R)-6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55277803
(3aR,9bR)-6-chloro-7-methoxy-3a-methyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalene
CID 160711595
5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13067565
5-fluoro-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55294576
(1R)-1-amino-4-chloro-2,3-dihydro-1H-indene-5-carboxylic acid
CID 130839484
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
(3aS,9bS)-6-chloro-7-methoxy-3a-methyl-1,2,3,4,5,9b-hexahydrobenzo[e]isoindole;hydrochloride
CID 70664756
(1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine
CID 130632392
(1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55272365
(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine (CID 55272709) is 4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1Cl)CCC2N.
What is the InChIKey of 4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GHGXOTINTLOATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5,8H,2,4,12H2,1H3.
What are the key properties of 4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine?
4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 197.66 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 55272709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).