N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine

C20H21N — CID 163438420

IUPACN-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine
SMILESCc1cc(C)c(N(C)c2cccc3ccccc23)cc1C
InChIInChI=1S/C20H21N/c1-14-12-16(3)20(13-15(14)2)21(4)19-11-7-9-17-8-5-6-10-18(17)19/h5-13H,1-4H3
InChIKeyDMXCGOUGGKDEDN-UHFFFAOYSA-N
MW275.39 g/mol
LogP5.53
Rot. Bonds2

About N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine

N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine (PubChem CID 163438420) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine
PubChem CID163438420
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC NameN-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine
SMILESCc1cc(C)c(N(C)c2cccc3ccccc23)cc1C
InChIInChI=1S/C20H21N/c1-14-12-16(3)20(13-15(14)2)21(4)19-11-7-9-17-8-5-6-10-18(17)19/h5-13H,1-4H3
InChIKeyDMXCGOUGGKDEDN-UHFFFAOYSA-N
XLogP5.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dimethylphenyl)-N-methylnaphthalen-1-amine
CID 163438414
N-methyl-N-naphthalen-1-ylphenanthren-9-amine
CID 18740121
N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine
CID 59327767
N-methyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
N-(3,4-dimethylphenyl)-N-phenylnaphthalen-1-amine
CID 123561846
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
3-[methyl(naphthalen-1-yl)amino]benzonitrile
CID 70645311
N-(bromomethyl)-N-methylnaphthalen-1-amine
CID 115261813
N,2,4,5-tetramethyl-N-(4-phenylphenyl)aniline
CID 134561199
N-ethenyl-N-methylnaphthalen-1-amine
CID 70602093
2-[methyl(naphthalen-1-yl)amino]ethanethiol
CID 115223888

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine?
The IUPAC name of N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine (CID 163438420) is N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine?
The canonical SMILES for N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine is Cc1cc(C)c(N(C)c2cccc3ccccc23)cc1C.
What is the InChIKey of N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine?
The InChIKey is DMXCGOUGGKDEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-14-12-16(3)20(13-15(14)2)21(4)19-11-7-9-17-8-5-6-10-18(17)19/h5-13H,1-4H3.
What are the key properties of N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine?
N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine has a molecular weight of 275.39 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,4,5-trimethylphenyl)naphthalen-1-amine is sourced from PubChem (CID 163438420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).