benzene;1,2,3,4-tetrahydronaphthalen-2-amine

C16H19N — CID 66647094

IUPACbenzene;1,2,3,4-tetrahydronaphthalen-2-amine
SMILESNC1CCc2ccccc2C1.c1ccccc1
InChIInChI=1S/C10H13N.C6H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-6-5-3-1/h1-4,10H,5-7,11H2;1-6H
InChIKeyHEPSPENIXHTMEY-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.19
Rot. Bonds

About benzene;1,2,3,4-tetrahydronaphthalen-2-amine

benzene;1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 66647094) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is benzene;1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Namebenzene;1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID66647094
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Namebenzene;1,2,3,4-tetrahydronaphthalen-2-amine
SMILESNC1CCc2ccccc2C1.c1ccccc1
InChIInChI=1S/C10H13N.C6H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-6-5-3-1/h1-4,10H,5-7,11H2;1-6H
InChIKeyHEPSPENIXHTMEY-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of benzene;1,2,3,4-tetrahydronaphthalen-2-amine (CID 66647094) is benzene;1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for benzene;1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for benzene;1,2,3,4-tetrahydronaphthalen-2-amine is NC1CCc2ccccc2C1.c1ccccc1.
What is the InChIKey of benzene;1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HEPSPENIXHTMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C6H6/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-6-5-3-1/h1-4,10H,5-7,11H2;1-6H.
What are the key properties of benzene;1,2,3,4-tetrahydronaphthalen-2-amine?
benzene;1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 225.34 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 66647094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).