1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine

C19H21NO — CID 154098192

IUPAC1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine
SMILESCNCC12CCC(c3ccccc31)c1ccc(OC)cc12
InChIInChI=1S/C19H21NO/c1-20-12-19-10-9-14(15-5-3-4-6-17(15)19)16-8-7-13(21-2)11-18(16)19/h3-8,11,14,20H,9-10,12H2,1-2H3
InChIKeyGBSPHIURRDOONT-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.44
Rot. Bonds3

About 1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine

1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine (PubChem CID 154098192) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine
PubChem CID154098192
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine
SMILESCNCC12CCC(c3ccccc31)c1ccc(OC)cc12
InChIInChI=1S/C19H21NO/c1-20-12-19-10-9-14(15-5-3-4-6-17(15)19)16-8-7-13(21-2)11-18(16)19/h3-8,11,14,20H,9-10,12H2,1-2H3
InChIKeyGBSPHIURRDOONT-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine
CID 14950933
6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513047
1-(2-fluorophenyl)-6-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513013
6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 82304474
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513028
1-(6-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine
CID 22152309
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
7-methoxy-4-(2-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12623955
2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine
CID 84632926
(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide
CID 25139016
[1-(3-methoxyphenoxy)cyclopropyl]methanamine
CID 83920742

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine (CID 154098192) is 1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine is CNCC12CCC(c3ccccc31)c1ccc(OC)cc12.
What is the InChIKey of 1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine?
The InChIKey is GBSPHIURRDOONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-20-12-19-10-9-14(15-5-3-4-6-17(15)19)16-8-7-13(21-2)11-18(16)19/h3-8,11,14,20H,9-10,12H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine?
1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine is sourced from PubChem (CID 154098192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).