2-anthracen-9-ylpropan-2-amine

C17H17N — CID 173326839

IUPAC2-anthracen-9-ylpropan-2-amine
SMILESCC(C)(N)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H17N/c1-17(2,18)16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-11H,18H2,1-2H3
InChIKeyNGCVNNBSDUJYNQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.19
Rot. Bonds1

About 2-anthracen-9-ylpropan-2-amine

2-anthracen-9-ylpropan-2-amine (PubChem CID 173326839) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-anthracen-9-ylpropan-2-amine.

Molecular Properties

Compound Name2-anthracen-9-ylpropan-2-amine
PubChem CID173326839
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-anthracen-9-ylpropan-2-amine
SMILESCC(C)(N)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H17N/c1-17(2,18)16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-11H,18H2,1-2H3
InChIKeyNGCVNNBSDUJYNQ-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol
CID 18185588
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057
4,8-di(anthracen-9-yl)-2,6-ditert-butylthieno[2,3-f][1]benzothiole
CID 123474874
2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid
CID 22023715
2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine
CID 82577228
1-tert-butyl-2-methylnaphthalene
CID 3019593
CID 13203482
CID 13203482
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-ylpropan-2-amine?
The IUPAC name of 2-anthracen-9-ylpropan-2-amine (CID 173326839) is 2-anthracen-9-ylpropan-2-amine.
What is the SMILES notation for 2-anthracen-9-ylpropan-2-amine?
The canonical SMILES for 2-anthracen-9-ylpropan-2-amine is CC(C)(N)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-anthracen-9-ylpropan-2-amine?
The InChIKey is NGCVNNBSDUJYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-17(2,18)16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-11H,18H2,1-2H3.
What are the key properties of 2-anthracen-9-ylpropan-2-amine?
2-anthracen-9-ylpropan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-ylpropan-2-amine is sourced from PubChem (CID 173326839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).