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

C47H51N3 — CID 144851949

IUPAC4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine
SMILESCCN(c1ccccc1)c1ccc(C(c2ccc(N(CC)c3ccccc3)cc2)c2ccc(NC(C)C3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C47H51N3/c1-4-49(39-19-11-7-12-20-39)41-29-25-37(26-30-41)47(38-27-31-42(32-28-38)50(5-2)40-21-13-8-14-22-40)45-33-34-46(44-24-16-15-23-43(44)45)48-35(3)36-17-9-6-10-18-36/h7-8,11-16,19-36,47-48H,4-6,9-10,17-18H2,1-3H3
InChIKeyRBAIVXPFIGEWAL-UHFFFAOYSA-N
MW657.95 g/mol
LogP12.72
Rot. Bonds12

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

4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine (PubChem CID 144851949) has the molecular formula C47H51N3 and a molecular weight of 657.95 g/mol. Its IUPAC name is 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine
PubChem CID144851949
Molecular FormulaC47H51N3
Molecular Weight657.95 g/mol
Exact Mass657.41
IUPAC Name4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine
SMILESCCN(c1ccccc1)c1ccc(C(c2ccc(N(CC)c3ccccc3)cc2)c2ccc(NC(C)C3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C47H51N3/c1-4-49(39-19-11-7-12-20-39)41-29-25-37(26-30-41)47(38-27-31-42(32-28-38)50(5-2)40-21-13-8-14-22-40)45-33-34-46(44-24-16-15-23-43(44)45)48-35(3)36-17-9-6-10-18-36/h7-8,11-16,19-36,47-48H,4-6,9-10,17-18H2,1-3H3
InChIKeyRBAIVXPFIGEWAL-UHFFFAOYSA-N
XLogP12.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.95
LogP ≤ 512.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine?
The IUPAC name of 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine (CID 144851949) is 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine.
What is the SMILES notation for 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine?
The canonical SMILES for 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine is CCN(c1ccccc1)c1ccc(C(c2ccc(N(CC)c3ccccc3)cc2)c2ccc(NC(C)C3CCCCC3)c3ccccc23)cc1.
What is the InChIKey of 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine?
The InChIKey is RBAIVXPFIGEWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51N3/c1-4-49(39-19-11-7-12-20-39)41-29-25-37(26-30-41)47(38-27-31-42(32-28-38)50(5-2)40-21-13-8-14-22-40)45-33-34-46(44-24-16-15-23-43(44)45)48-35(3)36-17-9-6-10-18-36/h7-8,11-16,19-36,47-48H,4-6,9-10,17-18H2,1-3H3.
What are the key properties of 4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine?
4-[bis[4-(N-ethylanilino)phenyl]methyl]-N-(1-cyclohexylethyl)naphthalen-1-amine has a molecular weight of 657.95 g/mol, XLogP of 12.72, 12 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-(1-cyclohexylethyl)naphthalen-1-amine is sourced from PubChem (CID 144851949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).