3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine

C19H31NO — CID 83048006

IUPAC3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCCCNC1CC(C)(C)CCc2cc(C)c(OC)c(C)c21
InChIInChI=1S/C19H31NO/c1-7-10-20-16-12-19(4,5)9-8-15-11-13(2)18(21-6)14(3)17(15)16/h11,16,20H,7-10,12H2,1-6H3
InChIKeyFYISHXQZVURKDO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.72
Rot. Bonds4

About 3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine

3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 83048006) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID83048006
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCCCNC1CC(C)(C)CCc2cc(C)c(OC)c(C)c21
InChIInChI=1S/C19H31NO/c1-7-10-20-16-12-19(4,5)9-8-15-11-13(2)18(21-6)14(3)17(15)16/h11,16,20H,7-10,12H2,1-6H3
InChIKeyFYISHXQZVURKDO-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine with MolForge

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Related Compounds

1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63514934
1-ethoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63512495
7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63513012
3-bromo-N-ethyl-1,4-dimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 105057499
2,2,5,8-tetramethyl-N-propyl-1,3,4,9-tetrahydrocarbazol-4-amine
CID 65332594
1-bromo-3,4-dimethoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62736545
5,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383413
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine
CID 115483170
N-[(5-bromo-2-methoxy-3,6-dimethylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001381
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
N-butyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 156754055

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 83048006) is 3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine is CCCNC1CC(C)(C)CCc2cc(C)c(OC)c(C)c21.
What is the InChIKey of 3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is FYISHXQZVURKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-7-10-20-16-12-19(4,5)9-8-15-11-13(2)18(21-6)14(3)17(15)16/h11,16,20H,7-10,12H2,1-6H3.
What are the key properties of 3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine?
3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 289.46 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4,7,7-tetramethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 83048006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).