N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H21NO2 — CID 2846354

IUPACN-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(NC2CCc3ccccc3C2)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-20-16-9-10-17(18(12-16)21-2)19-15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,12,15,19H,7-8,11H2,1-2H3
InChIKeyXVSGAZFDWRGODG-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.67
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 2846354) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID2846354
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(NC2CCc3ccccc3C2)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-20-16-9-10-17(18(12-16)21-2)19-15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,12,15,19H,7-8,11H2,1-2H3
InChIKeyXVSGAZFDWRGODG-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 31196228
4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 63598199
1-(2,3-dihydro-1H-inden-2-yl)-3-(2,4-dimethoxyphenyl)thiourea
CID 8547035
N-(2-ethoxy-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43787969
6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627297
3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine
CID 112568537
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43764909
(2S)-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983162
N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597292
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81367851
N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107633014
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 2846354) is N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc(NC2CCc3ccccc3C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XVSGAZFDWRGODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-16-9-10-17(18(12-16)21-2)19-15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,12,15,19H,7-8,11H2,1-2H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 283.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 2846354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).