N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine

C24H23NO2 — CID 46221872

IUPACN-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(CNCc2c3ccccc3cc3ccccc23)cc(OC)c1
InChIInChI=1S/C24H23NO2/c1-26-20-11-17(12-21(14-20)27-2)15-25-16-24-22-9-5-3-7-18(22)13-19-8-4-6-10-23(19)24/h3-14,25H,15-16H2,1-2H3
InChIKeyJKHQXJPKEOEOBK-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.30
Rot. Bonds6

About N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine

N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine (PubChem CID 46221872) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine
PubChem CID46221872
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(CNCc2c3ccccc3cc3ccccc23)cc(OC)c1
InChIInChI=1S/C24H23NO2/c1-26-20-11-17(12-21(14-20)27-2)15-25-16-24-22-9-5-3-7-18(22)13-19-8-4-6-10-23(19)24/h3-14,25H,15-16H2,1-2H3
InChIKeyJKHQXJPKEOEOBK-UHFFFAOYSA-N
XLogP5.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride
CID 50999583
1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol
CID 111425237
N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 55577770
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 738585
N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane
CID 142156026
1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
CID 792126
1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 775222
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053735

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine?
The IUPAC name of N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine (CID 46221872) is N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine?
The canonical SMILES for N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine is COc1cc(CNCc2c3ccccc3cc3ccccc23)cc(OC)c1.
What is the InChIKey of N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine?
The InChIKey is JKHQXJPKEOEOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-26-20-11-17(12-21(14-20)27-2)15-25-16-24-22-9-5-3-7-18(22)13-19-8-4-6-10-23(19)24/h3-14,25H,15-16H2,1-2H3.
What are the key properties of N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine?
N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine has a molecular weight of 357.45 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethyl)-1-(3,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 46221872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).