3-methyltetracen-2-amine

C19H15N — CID 154953105

IUPAC3-methyltetracen-2-amine
SMILESCc1cc2cc3cc4ccccc4cc3cc2cc1N
InChIInChI=1S/C19H15N/c1-12-6-15-9-16-7-13-4-2-3-5-14(13)8-17(16)10-18(15)11-19(12)20/h2-11H,20H2,1H3
InChIKeyHCIHKDPEPKSAPO-UHFFFAOYSA-N
MW257.34 g/mol
LogP5.04
Rot. Bonds

About 3-methyltetracen-2-amine

3-methyltetracen-2-amine (PubChem CID 154953105) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-methyltetracen-2-amine.

Molecular Properties

Compound Name3-methyltetracen-2-amine
PubChem CID154953105
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name3-methyltetracen-2-amine
SMILESCc1cc2cc3cc4ccccc4cc3cc2cc1N
InChIInChI=1S/C19H15N/c1-12-6-15-9-16-7-13-4-2-3-5-14(13)8-17(16)10-18(15)11-19(12)20/h2-11H,20H2,1H3
InChIKeyHCIHKDPEPKSAPO-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.34
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Naphthylamine
CID 8640
2-Naphthylamine
CID 7057
1-Nitropyrene
CID 21694
2-Aminoanthracene
CID 11937
1,5-Diaminonaphthalene
CID 16720
2,4,5-Trimethylaniline
CID 8717
6-Nitrochrysene
CID 24121
1,6-Dinitropyrene
CID 39184
1,8-Dinitropyrene
CID 39185
4-Nitropyrene
CID 62134
3-Nitrobenzo(a)pyrene
CID 50961
Yellow No. 2
CID 6824

Frequently Asked Questions

What is the IUPAC name of 3-methyltetracen-2-amine?
The IUPAC name of 3-methyltetracen-2-amine (CID 154953105) is 3-methyltetracen-2-amine.
What is the SMILES notation for 3-methyltetracen-2-amine?
The canonical SMILES for 3-methyltetracen-2-amine is Cc1cc2cc3cc4ccccc4cc3cc2cc1N.
What is the InChIKey of 3-methyltetracen-2-amine?
The InChIKey is HCIHKDPEPKSAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c1-12-6-15-9-16-7-13-4-2-3-5-14(13)8-17(16)10-18(15)11-19(12)20/h2-11H,20H2,1H3.
What are the key properties of 3-methyltetracen-2-amine?
3-methyltetracen-2-amine has a molecular weight of 257.34 g/mol, XLogP of 5.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltetracen-2-amine is sourced from PubChem (CID 154953105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).