6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C18H20ClNO — CID 62671113

IUPAC6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1ccc(OC2CCCc3ccccc3C2N)c(Cl)c1
InChIInChI=1S/C18H20ClNO/c1-12-9-10-16(15(19)11-12)21-17-8-4-6-13-5-2-3-7-14(13)18(17)20/h2-3,5,7,9-11,17-18H,4,6,8,20H2,1H3
InChIKeyABYGPASMNIZRJB-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.43
Rot. Bonds2

About 6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 62671113) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID62671113
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1ccc(OC2CCCc3ccccc3C2N)c(Cl)c1
InChIInChI=1S/C18H20ClNO/c1-12-9-10-16(15(19)11-12)21-17-8-4-6-13-5-2-3-7-14(13)18(17)20/h2-3,5,7,9-11,17-18H,4,6,8,20H2,1H3
InChIKeyABYGPASMNIZRJB-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

2-(2-chloro-4-methylphenoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62671078
6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16787660
2-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-inden-1-amine
CID 43100217
6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62141015
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106862360
6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64745151
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771052
6-[(4-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403689
6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43183746
6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43127864
1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142874609
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 62671113) is 6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is Cc1ccc(OC2CCCc3ccccc3C2N)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is ABYGPASMNIZRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-9-10-16(15(19)11-12)21-17-8-4-6-13-5-2-3-7-14(13)18(17)20/h2-3,5,7,9-11,17-18H,4,6,8,20H2,1H3.
What are the key properties of 6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 301.82 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 62671113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).