4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine

C37H41N3 — CID 70389248

IUPAC4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(N(c2ccc(Cc3cccc4ccccc34)cc2)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C37H41N3/c1-5-38(6-2)32-20-24-35(25-21-32)40(36-26-22-33(23-27-36)39(7-3)8-4)34-18-16-29(17-19-34)28-31-14-11-13-30-12-9-10-15-37(30)31/h9-27H,5-8,28H2,1-4H3
InChIKeyXWCHUXIWPWTEEL-UHFFFAOYSA-N
MW527.76 g/mol
LogP9.59
Rot. Bonds11

About 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine

4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine (PubChem CID 70389248) has the molecular formula C37H41N3 and a molecular weight of 527.76 g/mol. Its IUPAC name is 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine
PubChem CID70389248
Molecular FormulaC37H41N3
Molecular Weight527.76 g/mol
Exact Mass527.33
IUPAC Name4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(N(c2ccc(Cc3cccc4ccccc34)cc2)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C37H41N3/c1-5-38(6-2)32-20-24-35(25-21-32)40(36-26-22-33(23-27-36)39(7-3)8-4)34-18-16-29(17-19-34)28-31-14-11-13-30-12-9-10-15-37(30)31/h9-27H,5-8,28H2,1-4H3
InChIKeyXWCHUXIWPWTEEL-UHFFFAOYSA-N
XLogP9.59
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.76
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-benzylnaphthalene;N-methylmethanamine
CID 70612820
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 86063425
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
CID 66760372
CID 66760372
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethyl-4-(2-naphthalen-1-ylethynyl)aniline
CID 118606008
4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine
CID 67919479
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
N,N-diethylaniline
CID 7061
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
CID 59105713

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine (CID 70389248) is 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine is CCN(CC)c1ccc(N(c2ccc(Cc3cccc4ccccc34)cc2)c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine?
The InChIKey is XWCHUXIWPWTEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N3/c1-5-38(6-2)32-20-24-35(25-21-32)40(36-26-22-33(23-27-36)39(7-3)8-4)34-18-16-29(17-19-34)28-31-14-11-13-30-12-9-10-15-37(30)31/h9-27H,5-8,28H2,1-4H3.
What are the key properties of 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine?
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine has a molecular weight of 527.76 g/mol, XLogP of 9.59, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 70389248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).