N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C18H29NO2 — CID 63686004

IUPACN-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCCOCCOC1CCCc2ccccc2C1NCC
InChIInChI=1S/C18H29NO2/c1-3-12-20-13-14-21-17-11-7-9-15-8-5-6-10-16(15)18(17)19-4-2/h5-6,8,10,17-19H,3-4,7,9,11-14H2,1-2H3
InChIKeyDHQDEGQOIBDWBT-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.49
Rot. Bonds8

About N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63686004) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63686004
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCCOCCOC1CCCc2ccccc2C1NCC
InChIInChI=1S/C18H29NO2/c1-3-12-20-13-14-21-17-11-7-9-15-8-5-6-10-16(15)18(17)19-4-2/h5-6,8,10,17-19H,3-4,7,9,11-14H2,1-2H3
InChIKeyDHQDEGQOIBDWBT-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106447263
N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665345
6-(2-cyclopropylethoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106200554
6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 66234040
6-butyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403512
5-N-ethyl-6-N,6-N-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63466737
N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79575553
2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 104560782
5-chloro-6-(2-propoxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 106455999
N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403421
5-N-ethyl-6-N-methyl-6-N-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63983993
6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43127864

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63686004) is N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCCOCCOC1CCCc2ccccc2C1NCC.
What is the InChIKey of N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is DHQDEGQOIBDWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-12-20-13-14-21-17-11-7-9-15-8-5-6-10-16(15)18(17)19-4-2/h5-6,8,10,17-19H,3-4,7,9,11-14H2,1-2H3.
What are the key properties of N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 291.44 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63686004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).