2-(4-methylanilino)naphthalene-1-carbaldehyde

C18H15NO — CID 135023632

IUPAC2-(4-methylanilino)naphthalene-1-carbaldehyde
SMILESCc1ccc(Nc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C18H15NO/c1-13-6-9-15(10-7-13)19-18-11-8-14-4-2-3-5-16(14)17(18)12-20/h2-12,19H,1H3
InChIKeyMBGCKUXOFKVMFF-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.70
Rot. Bonds3

About 2-(4-methylanilino)naphthalene-1-carbaldehyde

2-(4-methylanilino)naphthalene-1-carbaldehyde (PubChem CID 135023632) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-methylanilino)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylanilino)naphthalene-1-carbaldehyde
PubChem CID135023632
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2-(4-methylanilino)naphthalene-1-carbaldehyde
SMILESCc1ccc(Nc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C18H15NO/c1-13-6-9-15(10-7-13)19-18-11-8-14-4-2-3-5-16(14)17(18)12-20/h2-12,19H,1H3
InChIKeyMBGCKUXOFKVMFF-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)phenanthren-4-amine
CID 122607190
ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine
CID 91388045
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride
CID 75366848
2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde
CID 88526025
2-chloronaphthalene-1-carbaldehyde
CID 19065818
1-N-[4-[4-(4-methylanilino)-N-phenanthren-2-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338013
N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine
CID 150848719
N-(4-methylphenyl)isoquinolin-1-amine
CID 3248179
2-(4-methylanilino)cyclohepta-2,4,6-trien-1-one
CID 658410

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(4-methylanilino)naphthalene-1-carbaldehyde (CID 135023632) is 2-(4-methylanilino)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(4-methylanilino)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(4-methylanilino)naphthalene-1-carbaldehyde is Cc1ccc(Nc2ccc3ccccc3c2C=O)cc1.
What is the InChIKey of 2-(4-methylanilino)naphthalene-1-carbaldehyde?
The InChIKey is MBGCKUXOFKVMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-13-6-9-15(10-7-13)19-18-11-8-14-4-2-3-5-16(14)17(18)12-20/h2-12,19H,1H3.
What are the key properties of 2-(4-methylanilino)naphthalene-1-carbaldehyde?
2-(4-methylanilino)naphthalene-1-carbaldehyde has a molecular weight of 261.32 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)naphthalene-1-carbaldehyde is sourced from PubChem (CID 135023632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).