1,2,3,4-tetrahydroanthracen-1-ylmethanamine

C15H17N — CID 151662391

IUPAC1,2,3,4-tetrahydroanthracen-1-ylmethanamine
SMILESNCC1CCCc2cc3ccccc3cc21
InChIInChI=1S/C15H17N/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-2,4-5,8-9,14H,3,6-7,10,16H2
InChIKeyQWURAZFUZZOSJC-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.22
Rot. Bonds1

About 1,2,3,4-tetrahydroanthracen-1-ylmethanamine

1,2,3,4-tetrahydroanthracen-1-ylmethanamine (PubChem CID 151662391) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroanthracen-1-ylmethanamine.

Molecular Properties

Compound Name1,2,3,4-tetrahydroanthracen-1-ylmethanamine
PubChem CID151662391
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1,2,3,4-tetrahydroanthracen-1-ylmethanamine
SMILESNCC1CCCc2cc3ccccc3cc21
InChIInChI=1S/C15H17N/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-2,4-5,8-9,14H,3,6-7,10,16H2
InChIKeyQWURAZFUZZOSJC-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroanthracen-1-ylmethanamine?
The IUPAC name of 1,2,3,4-tetrahydroanthracen-1-ylmethanamine (CID 151662391) is 1,2,3,4-tetrahydroanthracen-1-ylmethanamine.
What is the SMILES notation for 1,2,3,4-tetrahydroanthracen-1-ylmethanamine?
The canonical SMILES for 1,2,3,4-tetrahydroanthracen-1-ylmethanamine is NCC1CCCc2cc3ccccc3cc21.
What is the InChIKey of 1,2,3,4-tetrahydroanthracen-1-ylmethanamine?
The InChIKey is QWURAZFUZZOSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-2,4-5,8-9,14H,3,6-7,10,16H2.
What are the key properties of 1,2,3,4-tetrahydroanthracen-1-ylmethanamine?
1,2,3,4-tetrahydroanthracen-1-ylmethanamine has a molecular weight of 211.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroanthracen-1-ylmethanamine is sourced from PubChem (CID 151662391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).