7-octylanthracen-2-amine

C22H27N — CID 87887056

IUPAC7-octylanthracen-2-amine
SMILESCCCCCCCCc1ccc2cc3ccc(N)cc3cc2c1
InChIInChI=1S/C22H27N/c1-2-3-4-5-6-7-8-17-9-10-18-14-19-11-12-22(23)16-21(19)15-20(18)13-17/h9-16H,2-8,23H2,1H3
InChIKeyVGIOHZKZRFMKSY-UHFFFAOYSA-N
MW305.47 g/mol
LogP6.48
Rot. Bonds7

About 7-octylanthracen-2-amine

7-octylanthracen-2-amine (PubChem CID 87887056) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 7-octylanthracen-2-amine.

Molecular Properties

Compound Name7-octylanthracen-2-amine
PubChem CID87887056
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name7-octylanthracen-2-amine
SMILESCCCCCCCCc1ccc2cc3ccc(N)cc3cc2c1
InChIInChI=1S/C22H27N/c1-2-3-4-5-6-7-8-17-9-10-18-14-19-11-12-22(23)16-21(19)15-20(18)13-17/h9-16H,2-8,23H2,1H3
InChIKeyVGIOHZKZRFMKSY-UHFFFAOYSA-N
XLogP6.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-octylanthracen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octylanthracene
CID 23131226
3-undecylnaphthalene-2,6-diamine
CID 150754371
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
ethane;2-hexylnaphthalene
CID 142191207
4-N-(6-octylnaphthalen-2-yl)-4-N-phenylbenzene-1,4-diamine
CID 176898390
2-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene
CID 175592722
2-butyl-6-propylnaphthalene;propane
CID 123540121
3-docosylaniline
CID 139654071

Frequently Asked Questions

What is the IUPAC name of 7-octylanthracen-2-amine?
The IUPAC name of 7-octylanthracen-2-amine (CID 87887056) is 7-octylanthracen-2-amine.
What is the SMILES notation for 7-octylanthracen-2-amine?
The canonical SMILES for 7-octylanthracen-2-amine is CCCCCCCCc1ccc2cc3ccc(N)cc3cc2c1.
What is the InChIKey of 7-octylanthracen-2-amine?
The InChIKey is VGIOHZKZRFMKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-2-3-4-5-6-7-8-17-9-10-18-14-19-11-12-22(23)16-21(19)15-20(18)13-17/h9-16H,2-8,23H2,1H3.
What are the key properties of 7-octylanthracen-2-amine?
7-octylanthracen-2-amine has a molecular weight of 305.47 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-octylanthracen-2-amine is sourced from PubChem (CID 87887056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).