N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline

C26H25NO — CID 101009009

IUPACN,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline
SMILESCc1ccc(OCc2cccc3c(-c4ccc(N(C)C)cc4)cccc23)cc1
InChIInChI=1S/C26H25NO/c1-19-10-16-23(17-11-19)28-18-21-6-4-9-26-24(7-5-8-25(21)26)20-12-14-22(15-13-20)27(2)3/h4-17H,18H2,1-3H3
InChIKeyXWIZINXEKUNHFI-UHFFFAOYSA-N
MW367.49 g/mol
LogP6.46
Rot. Bonds5

About N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline

N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline (PubChem CID 101009009) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline
PubChem CID101009009
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC NameN,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline
SMILESCc1ccc(OCc2cccc3c(-c4ccc(N(C)C)cc4)cccc23)cc1
InChIInChI=1S/C26H25NO/c1-19-10-16-23(17-11-19)28-18-21-6-4-9-26-24(7-5-8-25(21)26)20-12-14-22(15-13-20)27(2)3/h4-17H,18H2,1-3H3
InChIKeyXWIZINXEKUNHFI-UHFFFAOYSA-N
XLogP6.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene
CID 143129119
N,N-dimethyl-4-[10-(4-methylphenyl)pyren-4-yl]aniline
CID 159045938
4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline
CID 173360474
4-[2-(chloromethyl)phenyl]-N,N-dimethylaniline
CID 43840308
7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117181960
7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117186236
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
2-[3-[4-(dimethylamino)phenyl]-1-benzofuran-7-yl]acetic acid
CID 21447391
[3-(acetyloxymethyl)-2-[2-(4-methylphenoxy)ethoxy]phenyl]methyl acetate
CID 118047643
4-ethoxy-N,N-dimethylaniline
CID 3624890

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline (CID 101009009) is N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline is Cc1ccc(OCc2cccc3c(-c4ccc(N(C)C)cc4)cccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline?
The InChIKey is XWIZINXEKUNHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-19-10-16-23(17-11-19)28-18-21-6-4-9-26-24(7-5-8-25(21)26)20-12-14-22(15-13-20)27(2)3/h4-17H,18H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline?
N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline has a molecular weight of 367.49 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline is sourced from PubChem (CID 101009009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).