(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C13H18ClN — CID 115484988

IUPAC(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1cc(Cl)c2c(c1C)[C@H](N)CCCC2
InChIInChI=1S/C13H18ClN/c1-8-7-11(14)10-5-3-4-6-12(15)13(10)9(8)2/h7,12H,3-6,15H2,1-2H3/t12-/m1/s1
InChIKeyVOKQBNPBEBGNKS-GFCCVEGCSA-N
MW223.75 g/mol
LogP3.68
Rot. Bonds

About (5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 115484988) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID115484988
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1cc(Cl)c2c(c1C)[C@H](N)CCCC2
InChIInChI=1S/C13H18ClN/c1-8-7-11(14)10-5-3-4-6-12(15)13(10)9(8)2/h7,12H,3-6,15H2,1-2H3/t12-/m1/s1
InChIKeyVOKQBNPBEBGNKS-GFCCVEGCSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

1-chloro-N,3,4-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115484975
8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 130060029
(5S)-1-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014415
(1R)-6-chloro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130624873
(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417703
(1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine
CID 115484990
(1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 51441576
(5S)-1-ethoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014230
5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71432271
(1R)-7-chloro-5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55274275
(1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine
CID 130692932
(1S)-8-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130648464

Frequently Asked Questions

What is the IUPAC name of (5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of (5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 115484988) is (5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for (5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for (5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is Cc1cc(Cl)c2c(c1C)[C@H](N)CCCC2.
What is the InChIKey of (5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is VOKQBNPBEBGNKS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18ClN/c1-8-7-11(14)10-5-3-4-6-12(15)13(10)9(8)2/h7,12H,3-6,15H2,1-2H3/t12-/m1/s1.
What are the key properties of (5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 223.75 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 115484988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).