6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C17H19NO — CID 16787660

IUPAC6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1Oc1ccccc1
InChIInChI=1S/C17H19NO/c18-17-15-11-5-4-7-13(15)8-6-12-16(17)19-14-9-2-1-3-10-14/h1-5,7,9-11,16-17H,6,8,12,18H2
InChIKeyQYLBFIKMJDRDPP-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.47
Rot. Bonds2

About 6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 16787660) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID16787660
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1c2ccccc2CCCC1Oc1ccccc1
InChIInChI=1S/C17H19NO/c18-17-15-11-5-4-7-13(15)8-6-12-16(17)19-14-9-2-1-3-10-14/h1-5,7,9-11,16-17H,6,8,12,18H2
InChIKeyQYLBFIKMJDRDPP-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62141015
6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62671113
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
2-(3-propan-2-ylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43103826
6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64745151
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
6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103532534
(5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl) carbamate
CID 134096597
2-phenoxycyclopentane-1-thiol
CID 130451527
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
6-ethylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64614223

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 16787660) is 6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is NC1c2ccccc2CCCC1Oc1ccccc1.
What is the InChIKey of 6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is QYLBFIKMJDRDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c18-17-15-11-5-4-7-13(15)8-6-12-16(17)19-14-9-2-1-3-10-14/h1-5,7,9-11,16-17H,6,8,12,18H2.
What are the key properties of 6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 253.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 16787660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).