N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C18H29NO2 — CID 106447263

IUPACN-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1c2ccccc2CCCC1OCCOCC(C)C
InChIInChI=1S/C18H29NO2/c1-14(2)13-20-11-12-21-17-10-6-8-15-7-4-5-9-16(15)18(17)19-3/h4-5,7,9,14,17-19H,6,8,10-13H2,1-3H3
InChIKeyWOBWVFPKNBRJDP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.34
Rot. Bonds7

About N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 106447263) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID106447263
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1c2ccccc2CCCC1OCCOCC(C)C
InChIInChI=1S/C18H29NO2/c1-14(2)13-20-11-12-21-17-10-6-8-15-7-4-5-9-16(15)18(17)19-3/h4-5,7,9,14,17-19H,6,8,10-13H2,1-3H3
InChIKeyWOBWVFPKNBRJDP-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.34
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

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
N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63686004
2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 106447311
2-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665401
N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82788201
6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43183746
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103401891
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
N-methyl-6-(3-methylbutylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107760436
6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63696126
N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83157787

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 106447263) is N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CNC1c2ccccc2CCCC1OCCOCC(C)C.
What is the InChIKey of N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is WOBWVFPKNBRJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)13-20-11-12-21-17-10-6-8-15-7-4-5-9-16(15)18(17)19-3/h4-5,7,9,14,17-19H,6,8,10-13H2,1-3H3.
What are the key properties of N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 291.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 106447263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).