1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine

C19H22ClNO2 — CID 54306565

IUPAC1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine
SMILESCOc1ccccc1O[C@@H]1c2cc(Cl)ccc2C[C@@H]1CN(C)C
InChIInChI=1S/C19H22ClNO2/c1-21(2)12-14-10-13-8-9-15(20)11-16(13)19(14)23-18-7-5-4-6-17(18)22-3/h4-9,11,14,19H,10,12H2,1-3H3/t14-,19+/m1/s1
InChIKeySHYGKUYLPUXAFB-KUHUBIRLSA-N
MW331.84 g/mol
LogP4.20
Rot. Bonds5

About 1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine

1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine (PubChem CID 54306565) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine
PubChem CID54306565
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine
SMILESCOc1ccccc1O[C@@H]1c2cc(Cl)ccc2C[C@@H]1CN(C)C
InChIInChI=1S/C19H22ClNO2/c1-21(2)12-14-10-13-8-9-15(20)11-16(13)19(14)23-18-7-5-4-6-17(18)22-3/h4-9,11,14,19H,10,12H2,1-3H3/t14-,19+/m1/s1
InChIKeySHYGKUYLPUXAFB-KUHUBIRLSA-N
XLogP4.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine (CID 54306565) is 1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine is COc1ccccc1O[C@@H]1c2cc(Cl)ccc2C[C@@H]1CN(C)C.
What is the InChIKey of 1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine?
The InChIKey is SHYGKUYLPUXAFB-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-21(2)12-14-10-13-8-9-15(20)11-16(13)19(14)23-18-7-5-4-6-17(18)22-3/h4-9,11,14,19H,10,12H2,1-3H3/t14-,19+/m1/s1.
What are the key properties of 1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine?
1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine has a molecular weight of 331.84 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-6-chloro-1-(2-methoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 54306565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).