4-methylanthracen-1-amine

C15H13N — CID 15716473

IUPAC4-methylanthracen-1-amine
SMILESCc1ccc(N)c2cc3ccccc3cc12
InChIInChI=1S/C15H13N/c1-10-6-7-15(16)14-9-12-5-3-2-4-11(12)8-13(10)14/h2-9H,16H2,1H3
InChIKeyNZHGMZVNVLUNGW-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.88
Rot. Bonds

About 4-methylanthracen-1-amine

4-methylanthracen-1-amine (PubChem CID 15716473) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-methylanthracen-1-amine.

Molecular Properties

Compound Name4-methylanthracen-1-amine
PubChem CID15716473
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name4-methylanthracen-1-amine
SMILESCc1ccc(N)c2cc3ccccc3cc12
InChIInChI=1S/C15H13N/c1-10-6-7-15(16)14-9-12-5-3-2-4-11(12)8-13(10)14/h2-9H,16H2,1H3
InChIKeyNZHGMZVNVLUNGW-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.88
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

o-Tolidine
CID 8413
1-Naphthylamine
CID 8640
2-Naphthylamine
CID 7057
2-Aminoanthracene
CID 11937
1,5-Diaminonaphthalene
CID 16720
2,4,5-Trimethylaniline
CID 8717
Yellow No. 2
CID 6824
1,8-Diaminonaphthalene
CID 68067
1-Aminopyrene
CID 15352
1-Aminoanthracene
CID 11885
1-Naphthalenamine, 4-(phenylazo)-
CID 8562
6-Aminochrysene
CID 17534

Frequently Asked Questions

What is the IUPAC name of 4-methylanthracen-1-amine?
The IUPAC name of 4-methylanthracen-1-amine (CID 15716473) is 4-methylanthracen-1-amine.
What is the SMILES notation for 4-methylanthracen-1-amine?
The canonical SMILES for 4-methylanthracen-1-amine is Cc1ccc(N)c2cc3ccccc3cc12.
What is the InChIKey of 4-methylanthracen-1-amine?
The InChIKey is NZHGMZVNVLUNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-10-6-7-15(16)14-9-12-5-3-2-4-11(12)8-13(10)14/h2-9H,16H2,1H3.
What are the key properties of 4-methylanthracen-1-amine?
4-methylanthracen-1-amine has a molecular weight of 207.28 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylanthracen-1-amine is sourced from PubChem (CID 15716473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).