4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine

C46H49N3 — CID 144851906

IUPAC4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine
SMILESCCN(c1ccccc1)c1ccc(C(c2ccc(N(CC)c3ccccc3)cc2)c2ccc(NC3CCC(C)CC3)c3ccccc23)cc1
InChIInChI=1S/C46H49N3/c1-4-48(38-14-8-6-9-15-38)40-28-22-35(23-29-40)46(36-24-30-41(31-25-36)49(5-2)39-16-10-7-11-17-39)44-32-33-45(43-19-13-12-18-42(43)44)47-37-26-20-34(3)21-27-37/h6-19,22-25,28-34,37,46-47H,4-5,20-21,26-27H2,1-3H3
InChIKeyGMYGJEQTSANSMF-UHFFFAOYSA-N
MW643.92 g/mol
LogP12.33
Rot. Bonds11

About 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine

4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine (PubChem CID 144851906) has the molecular formula C46H49N3 and a molecular weight of 643.92 g/mol. Its IUPAC name is 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine
PubChem CID144851906
Molecular FormulaC46H49N3
Molecular Weight643.92 g/mol
Exact Mass643.39
IUPAC Name4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine
SMILESCCN(c1ccccc1)c1ccc(C(c2ccc(N(CC)c3ccccc3)cc2)c2ccc(NC3CCC(C)CC3)c3ccccc23)cc1
InChIInChI=1S/C46H49N3/c1-4-48(38-14-8-6-9-15-38)40-28-22-35(23-29-40)46(36-24-30-41(31-25-36)49(5-2)39-16-10-7-11-17-39)44-32-33-45(43-19-13-12-18-42(43)44)47-37-26-20-34(3)21-27-37/h6-19,22-25,28-34,37,46-47H,4-5,20-21,26-27H2,1-3H3
InChIKeyGMYGJEQTSANSMF-UHFFFAOYSA-N
XLogP12.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.92
LogP ≤ 512.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine?
The IUPAC name of 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine (CID 144851906) is 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine.
What is the SMILES notation for 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine?
The canonical SMILES for 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine is CCN(c1ccccc1)c1ccc(C(c2ccc(N(CC)c3ccccc3)cc2)c2ccc(NC3CCC(C)CC3)c3ccccc23)cc1.
What is the InChIKey of 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine?
The InChIKey is GMYGJEQTSANSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H49N3/c1-4-48(38-14-8-6-9-15-38)40-28-22-35(23-29-40)46(36-24-30-41(31-25-36)49(5-2)39-16-10-7-11-17-39)44-32-33-45(43-19-13-12-18-42(43)44)47-37-26-20-34(3)21-27-37/h6-19,22-25,28-34,37,46-47H,4-5,20-21,26-27H2,1-3H3.
What are the key properties of 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine?
4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine has a molecular weight of 643.92 g/mol, XLogP of 12.33, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(4-methylcyclohexyl)naphthalen-1-amine is sourced from PubChem (CID 144851906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).