2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine

C26H27NO4 — CID 11091032

IUPAC2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine
SMILESCOc1ccc(CN(C)c2cc3cc(OC)c(OC)cc3c3cc(OC)ccc23)cc1
InChIInChI=1S/C26H27NO4/c1-27(16-17-6-8-19(28-2)9-7-17)24-12-18-13-25(30-4)26(31-5)15-22(18)23-14-20(29-3)10-11-21(23)24/h6-15H,16H2,1-5H3
InChIKeyUBMATWBUKCXSFB-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.66
Rot. Bonds7

About 2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine

2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine (PubChem CID 11091032) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine.

Molecular Properties

Compound Name2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine
PubChem CID11091032
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine
SMILESCOc1ccc(CN(C)c2cc3cc(OC)c(OC)cc3c3cc(OC)ccc23)cc1
InChIInChI=1S/C26H27NO4/c1-27(16-17-6-8-19(28-2)9-7-17)24-12-18-13-25(30-4)26(31-5)15-22(18)23-14-20(29-3)10-11-21(23)24/h6-15H,16H2,1-5H3
InChIKeyUBMATWBUKCXSFB-UHFFFAOYSA-N
XLogP5.66
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine 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

5,6,7-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine
CID 11091031
N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline
CID 39371673
(2,3,7-trimethoxyphenanthren-9-yl)methanol
CID 71486073
2-(bromomethyl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 107081022
4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
CID 22042659
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 114844036
2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978512
3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one
CID 70978405
2-[(4-fluorophenyl)methyl-methylamino]-4-methoxybenzonitrile
CID 81299238
5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzonitrile
CID 62493898
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine?
The IUPAC name of 2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine (CID 11091032) is 2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine.
What is the SMILES notation for 2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine?
The canonical SMILES for 2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine is COc1ccc(CN(C)c2cc3cc(OC)c(OC)cc3c3cc(OC)ccc23)cc1.
What is the InChIKey of 2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine?
The InChIKey is UBMATWBUKCXSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-27(16-17-6-8-19(28-2)9-7-17)24-12-18-13-25(30-4)26(31-5)15-22(18)23-14-20(29-3)10-11-21(23)24/h6-15H,16H2,1-5H3.
What are the key properties of 2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine?
2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine has a molecular weight of 417.51 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine is sourced from PubChem (CID 11091032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).