N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine

C21H21N — CID 145078311

IUPACN-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine
SMILESCNc1ccc2ccccc2c1-c1cccc2c1CCCC2
InChIInChI=1S/C21H21N/c1-22-20-14-13-16-8-3-5-11-18(16)21(20)19-12-6-9-15-7-2-4-10-17(15)19/h3,5-6,8-9,11-14,22H,2,4,7,10H2,1H3
InChIKeyKNILRSBWNVXBOH-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.43
Rot. Bonds2

About N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine

N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine (PubChem CID 145078311) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine
PubChem CID145078311
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine
SMILESCNc1ccc2ccccc2c1-c1cccc2c1CCCC2
InChIInChI=1S/C21H21N/c1-22-20-14-13-16-8-3-5-11-18(16)21(20)19-12-6-9-15-7-2-4-10-17(15)19/h3,5-6,8-9,11-14,22H,2,4,7,10H2,1H3
InChIKeyKNILRSBWNVXBOH-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene
CID 59858821
1-(2-isocyanatophenyl)-N-methylnaphthalen-2-amine
CID 175756205
3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole
CID 59245208
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene
CID 59195164
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
trimethyl-[9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,6-bis(trimethylsilyl)anthracen-9-yl]naphthalen-1-yl]-6-trimethylsilylanthracen-2-yl]silane
CID 59861191
9,10-bis(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9,10-dibromoanthracene;5,6,7,8-tetrahydronaphthalen-1-ylboronic acid
CID 159170117
1,4-dimethylanthracene-9,10-dione;1,2,3,4-tetrahydrochrysene
CID 174595165
N-tert-butyl-1-naphthalen-1-ylnaphthalen-2-amine
CID 146334999
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
CID 173093718

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine?
The IUPAC name of N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine (CID 145078311) is N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine.
What is the SMILES notation for N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine?
The canonical SMILES for N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine is CNc1ccc2ccccc2c1-c1cccc2c1CCCC2.
What is the InChIKey of N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine?
The InChIKey is KNILRSBWNVXBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-22-20-14-13-16-8-3-5-11-18(16)21(20)19-12-6-9-15-7-2-4-10-17(15)19/h3,5-6,8-9,11-14,22H,2,4,7,10H2,1H3.
What are the key properties of N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine?
N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine has a molecular weight of 287.41 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine is sourced from PubChem (CID 145078311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).