2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H29N — CID 55185776

IUPAC2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCC(CC)CC1CCc2ccccc2C1N
InChIInChI=1S/C18H29N/c1-3-5-8-14(4-2)13-16-12-11-15-9-6-7-10-17(15)18(16)19/h6-7,9-10,14,16,18H,3-5,8,11-13,19H2,1-2H3
InChIKeyUIJOKOPTKLMGKM-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.86
Rot. Bonds6

About 2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine

2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 55185776) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID55185776
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCC(CC)CC1CCc2ccccc2C1N
InChIInChI=1S/C18H29N/c1-3-5-8-14(4-2)13-16-12-11-15-9-6-7-10-17(15)18(16)19/h6-7,9-10,14,16,18H,3-5,8,11-13,19H2,1-2H3
InChIKeyUIJOKOPTKLMGKM-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 55185776) is 2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCC(CC)CC1CCc2ccccc2C1N.
What is the InChIKey of 2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UIJOKOPTKLMGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-5-8-14(4-2)13-16-12-11-15-9-6-7-10-17(15)18(16)19/h6-7,9-10,14,16,18H,3-5,8,11-13,19H2,1-2H3.
What are the key properties of 2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 55185776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).