(1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine

C13H18ClN — CID 115484990

IUPAC(1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine
SMILESCc1cc(Cl)c2c(c1C)[C@@H](N)CC2(C)C
InChIInChI=1S/C13H18ClN/c1-7-5-9(14)12-11(8(7)2)10(15)6-13(12,3)4/h5,10H,6,15H2,1-4H3/t10-/m0/s1
InChIKeyFMQUMPBPGMPUPN-JTQLQIEISA-N
MW223.75 g/mol
LogP3.64
Rot. Bonds

About (1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine

(1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine (PubChem CID 115484990) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name(1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine
PubChem CID115484990
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine
SMILESCc1cc(Cl)c2c(c1C)[C@@H](N)CC2(C)C
InChIInChI=1S/C13H18ClN/c1-7-5-9(14)12-11(8(7)2)10(15)6-13(12,3)4/h5,10H,6,15H2,1-4H3/t10-/m0/s1
InChIKeyFMQUMPBPGMPUPN-JTQLQIEISA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(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-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine
CID 81050362
1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene
CID 115485019
(1S)-4,6-difluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine
CID 79837290
(1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 104546591
4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine
CID 79838026
(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115484988
(1S)-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837934
(1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837850
2-amino-5-chloro-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 84624497
(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417703

Frequently Asked Questions

What is the IUPAC name of (1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine?
The IUPAC name of (1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine (CID 115484990) is (1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for (1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for (1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine is Cc1cc(Cl)c2c(c1C)[C@@H](N)CC2(C)C.
What is the InChIKey of (1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine?
The InChIKey is FMQUMPBPGMPUPN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClN/c1-7-5-9(14)12-11(8(7)2)10(15)6-13(12,3)4/h5,10H,6,15H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine?
(1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 115484990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).