6,7-dimethoxy-N-methylphenanthren-9-amine

C17H17NO2 — CID 15503356

IUPAC6,7-dimethoxy-N-methylphenanthren-9-amine
SMILESCNc1cc2ccccc2c2cc(OC)c(OC)cc12
InChIInChI=1S/C17H17NO2/c1-18-15-8-11-6-4-5-7-12(11)13-9-16(19-2)17(20-3)10-14(13)15/h4-10,18H,1-3H3
InChIKeyNXZARBNBYXLWAL-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.05
Rot. Bonds3

About 6,7-dimethoxy-N-methylphenanthren-9-amine

6,7-dimethoxy-N-methylphenanthren-9-amine (PubChem CID 15503356) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6,7-dimethoxy-N-methylphenanthren-9-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-methylphenanthren-9-amine
PubChem CID15503356
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name6,7-dimethoxy-N-methylphenanthren-9-amine
SMILESCNc1cc2ccccc2c2cc(OC)c(OC)cc12
InChIInChI=1S/C17H17NO2/c1-18-15-8-11-6-4-5-7-12(11)13-9-16(19-2)17(20-3)10-14(13)15/h4-10,18H,1-3H3
InChIKeyNXZARBNBYXLWAL-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-N-methyl-3,4-diphenylnaphthalen-1-amine
CID 56698567
6-methoxychrysene
CID 12935769
1-(2,3-dimethoxynaphthalen-1-yl)-N-methylnaphthalen-2-amine
CID 145078328
10-[(4-tert-butylphenyl)methyl]-2,3-dimethoxyphenanthrene
CID 56931273
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
8,9-dimethoxy-6-methylphenanthridine
CID 135040288
6-methoxy-N-methylnaphthalen-1-amine
CID 15933755
11,15-dimethoxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102337988
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one
CID 10245385

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-methylphenanthren-9-amine?
The IUPAC name of 6,7-dimethoxy-N-methylphenanthren-9-amine (CID 15503356) is 6,7-dimethoxy-N-methylphenanthren-9-amine.
What is the SMILES notation for 6,7-dimethoxy-N-methylphenanthren-9-amine?
The canonical SMILES for 6,7-dimethoxy-N-methylphenanthren-9-amine is CNc1cc2ccccc2c2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-N-methylphenanthren-9-amine?
The InChIKey is NXZARBNBYXLWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18-15-8-11-6-4-5-7-12(11)13-9-16(19-2)17(20-3)10-14(13)15/h4-10,18H,1-3H3.
What are the key properties of 6,7-dimethoxy-N-methylphenanthren-9-amine?
6,7-dimethoxy-N-methylphenanthren-9-amine has a molecular weight of 267.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-methylphenanthren-9-amine is sourced from PubChem (CID 15503356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).