4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine

C35H44N2O — CID 122434120

IUPAC4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine
SMILESCCCOC(C)N(CC)c1ccc(C(c2ccc(C)cc2)c2ccc(N(CC)CC)cc2)c2ccccc12
InChIInChI=1S/C35H44N2O/c1-7-25-38-27(6)37(10-4)34-24-23-33(31-13-11-12-14-32(31)34)35(28-17-15-26(5)16-18-28)29-19-21-30(22-20-29)36(8-2)9-3/h11-24,27,35H,7-10,25H2,1-6H3
InChIKeyGHQLPTYKNWNUFW-UHFFFAOYSA-N
MW508.75 g/mol
LogP8.77
Rot. Bonds12

About 4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine

4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine (PubChem CID 122434120) has the molecular formula C35H44N2O and a molecular weight of 508.75 g/mol. Its IUPAC name is 4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine
PubChem CID122434120
Molecular FormulaC35H44N2O
Molecular Weight508.75 g/mol
Exact Mass508.35
IUPAC Name4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine
SMILESCCCOC(C)N(CC)c1ccc(C(c2ccc(C)cc2)c2ccc(N(CC)CC)cc2)c2ccccc12
InChIInChI=1S/C35H44N2O/c1-7-25-38-27(6)37(10-4)34-24-23-33(31-13-11-12-14-32(31)34)35(28-17-15-26(5)16-18-28)29-19-21-30(22-20-29)36(8-2)9-3/h11-24,27,35H,7-10,25H2,1-6H3
InChIKeyGHQLPTYKNWNUFW-UHFFFAOYSA-N
XLogP8.77
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.75
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine?
The IUPAC name of 4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine (CID 122434120) is 4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine.
What is the SMILES notation for 4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine?
The canonical SMILES for 4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine is CCCOC(C)N(CC)c1ccc(C(c2ccc(C)cc2)c2ccc(N(CC)CC)cc2)c2ccccc12.
What is the InChIKey of 4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine?
The InChIKey is GHQLPTYKNWNUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N2O/c1-7-25-38-27(6)37(10-4)34-24-23-33(31-13-11-12-14-32(31)34)35(28-17-15-26(5)16-18-28)29-19-21-30(22-20-29)36(8-2)9-3/h11-24,27,35H,7-10,25H2,1-6H3.
What are the key properties of 4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine?
4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine has a molecular weight of 508.75 g/mol, XLogP of 8.77, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine is sourced from PubChem (CID 122434120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).