(1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine

C12H16ClNO — CID 104546591

IUPAC(1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCOc1ccc(Cl)c2c1C(C)(C)C[C@@H]2N
InChIInChI=1S/C12H16ClNO/c1-12(2)6-8(14)10-7(13)4-5-9(15-3)11(10)12/h4-5,8H,6,14H2,1-3H3/t8-/m0/s1
InChIKeyOZSIAPXHTDDKMZ-QMMMGPOBSA-N
MW225.72 g/mol
LogP3.03
Rot. Bonds1

About (1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine

(1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine (PubChem CID 104546591) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name(1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
PubChem CID104546591
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCOc1ccc(Cl)c2c1C(C)(C)C[C@@H]2N
InChIInChI=1S/C12H16ClNO/c1-12(2)6-8(14)10-7(13)4-5-9(15-3)11(10)12/h4-5,8H,6,14H2,1-3H3/t8-/m0/s1
InChIKeyOZSIAPXHTDDKMZ-QMMMGPOBSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837934
4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine
CID 79838026
1-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroindene
CID 79837496
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598
1,7-dibromo-4-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 79837869
(1S)-6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine
CID 79838335
6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine
CID 79838334
(1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine
CID 115484990
3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one
CID 82234613
(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130691735
(1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine
CID 81050362
2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
CID 104817620

Frequently Asked Questions

What is the IUPAC name of (1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The IUPAC name of (1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine (CID 104546591) is (1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for (1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for (1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine is COc1ccc(Cl)c2c1C(C)(C)C[C@@H]2N.
What is the InChIKey of (1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
The InChIKey is OZSIAPXHTDDKMZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(2)6-8(14)10-7(13)4-5-9(15-3)11(10)12/h4-5,8H,6,14H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine?
(1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine has a molecular weight of 225.72 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 104546591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).