1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

C20H25N — CID 63411446

IUPAC1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc3c(c2)CCCC3)cc1C
InChIInChI=1S/C20H25N/c1-14-8-10-18(12-15(14)2)20(3,21)19-11-9-16-6-4-5-7-17(16)13-19/h8-13H,4-7,21H2,1-3H3
InChIKeyYOGYTMLFAWLKDH-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.40
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 63411446) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID63411446
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc3c(c2)CCCC3)cc1C
InChIInChI=1S/C20H25N/c1-14-8-10-18(12-15(14)2)20(3,21)19-11-9-16-6-4-5-7-17(16)13-19/h8-13H,4-7,21H2,1-3H3
InChIKeyYOGYTMLFAWLKDH-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 3052971
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
1-(2,3-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 63411485
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 104737775
1-(3,4-dimethylphenyl)-1-thiophen-3-ylethanamine
CID 65099237
N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
CID 115197541
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine
CID 117049338
1-(4-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 63406681
6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 116841362
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
3-[3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-bis(tert-butylsulfanyl)methyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 145163348

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (CID 63411446) is 1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is Cc1ccc(C(C)(N)c2ccc3c(c2)CCCC3)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is YOGYTMLFAWLKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14-8-10-18(12-15(14)2)20(3,21)19-11-9-16-6-4-5-7-17(16)13-19/h8-13H,4-7,21H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 63411446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).