4-methylbenzo[c]acridin-1-amine

C18H14N2 — CID 141428416

IUPAC4-methylbenzo[c]acridin-1-amine
SMILESCc1ccc(N)c2c1ccc1cc3ccccc3nc12
InChIInChI=1S/C18H14N2/c1-11-6-9-15(19)17-14(11)8-7-13-10-12-4-2-3-5-16(12)20-18(13)17/h2-10H,19H2,1H3
InChIKeyYCRUDVITPXROJT-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.43
Rot. Bonds

About 4-methylbenzo[c]acridin-1-amine

4-methylbenzo[c]acridin-1-amine (PubChem CID 141428416) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-methylbenzo[c]acridin-1-amine.

Molecular Properties

Compound Name4-methylbenzo[c]acridin-1-amine
PubChem CID141428416
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name4-methylbenzo[c]acridin-1-amine
SMILESCc1ccc(N)c2c1ccc1cc3ccccc3nc12
InChIInChI=1S/C18H14N2/c1-11-6-9-15(19)17-14(11)8-7-13-10-12-4-2-3-5-16(12)20-18(13)17/h2-10H,19H2,1H3
InChIKeyYCRUDVITPXROJT-UHFFFAOYSA-N
XLogP4.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-methylacridin-4-ol
CID 89346727
acridine;2-methylaniline
CID 174440557
28-methyl-31-azaheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20,22(32),23,25,27,29-octadecaene
CID 171043793
2-methylbenzo[b][1,10]phenanthroline
CID 11615688
4-methylbenzo[b][1,6]naphthyridine
CID 144676863
4-methylacridin-3-ol
CID 135711163
3,4-dimethylacridin-9-amine
CID 141072687
acridin-4-ylboronic acid
CID 158530162
acridine;ethane
CID 123684759
acridine
CID 21226281
1-methylacridine;hydrochloride
CID 175333750
5-methylpyren-1-amine
CID 23131220

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzo[c]acridin-1-amine?
The IUPAC name of 4-methylbenzo[c]acridin-1-amine (CID 141428416) is 4-methylbenzo[c]acridin-1-amine.
What is the SMILES notation for 4-methylbenzo[c]acridin-1-amine?
The canonical SMILES for 4-methylbenzo[c]acridin-1-amine is Cc1ccc(N)c2c1ccc1cc3ccccc3nc12.
What is the InChIKey of 4-methylbenzo[c]acridin-1-amine?
The InChIKey is YCRUDVITPXROJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-11-6-9-15(19)17-14(11)8-7-13-10-12-4-2-3-5-16(12)20-18(13)17/h2-10H,19H2,1H3.
What are the key properties of 4-methylbenzo[c]acridin-1-amine?
4-methylbenzo[c]acridin-1-amine has a molecular weight of 258.32 g/mol, XLogP of 4.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzo[c]acridin-1-amine is sourced from PubChem (CID 141428416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).