6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine

C21H21NO — CID 146020944

IUPAC6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine
SMILESCc1cc2c(cc1C)OC(Nc1cccc3ccccc13)CC2
InChIInChI=1S/C21H21NO/c1-14-12-17-10-11-21(23-20(17)13-15(14)2)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-9,12-13,21-22H,10-11H2,1-2H3
InChIKeyOFGPGHKZENWUJZ-UHFFFAOYSA-N
MW303.40 g/mol
LogP5.22
Rot. Bonds2

About 6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine

6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine (PubChem CID 146020944) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is 6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine.

Molecular Properties

Compound Name6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine
PubChem CID146020944
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC Name6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine
SMILESCc1cc2c(cc1C)OC(Nc1cccc3ccccc13)CC2
InChIInChI=1S/C21H21NO/c1-14-12-17-10-11-21(23-20(17)13-15(14)2)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-9,12-13,21-22H,10-11H2,1-2H3
InChIKeyOFGPGHKZENWUJZ-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.40
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2,3-dihydro-1H-inden-1-yl)naphthalen-1-amine
CID 63418541
N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine
CID 146020912
N-(2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
CID 43512758
N-(2,5-dimethylcyclohexyl)naphthalen-1-amine
CID 64776146
4-(naphthalen-1-ylamino)oxolan-3-ol
CID 60898015
N-naphthalen-1-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853527
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825
N-[2-methyl-4-[[3-methyl-4-(naphthalen-1-ylamino)cyclohexyl]methyl]cyclohexyl]naphthalen-1-amine
CID 139567562
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
CID 115348592
N-(2-propylcyclohexyl)naphthalen-1-amine
CID 154951720
7-methyl-2-phenyl-3,4-dihydro-2H-chromen-6-ol
CID 134989904
(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 164884131

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine?
The IUPAC name of 6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine (CID 146020944) is 6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine.
What is the SMILES notation for 6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine?
The canonical SMILES for 6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine is Cc1cc2c(cc1C)OC(Nc1cccc3ccccc13)CC2.
What is the InChIKey of 6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine?
The InChIKey is OFGPGHKZENWUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-14-12-17-10-11-21(23-20(17)13-15(14)2)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-9,12-13,21-22H,10-11H2,1-2H3.
What are the key properties of 6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine?
6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine has a molecular weight of 303.40 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine is sourced from PubChem (CID 146020944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).