N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline

C27H29NOSi — CID 70678197

IUPACN-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline
SMILESCc1ccc(C(c2cccc3ccccc23)N(O[Si](C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C27H29NOSi/c1-21-17-19-23(20-18-21)27(26-16-10-12-22-11-8-9-15-25(22)26)28(29-30(2,3)4)24-13-6-5-7-14-24/h5-20,27H,1-4H3
InChIKeyLJWYISZZGNQLGX-UHFFFAOYSA-N
MW411.62 g/mol
LogP7.51
Rot. Bonds6

About N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline

N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline (PubChem CID 70678197) has the molecular formula C27H29NOSi and a molecular weight of 411.62 g/mol. Its IUPAC name is N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline.

Molecular Properties

Compound NameN-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline
PubChem CID70678197
Molecular FormulaC27H29NOSi
Molecular Weight411.62 g/mol
Exact Mass411.20
IUPAC NameN-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline
SMILESCc1ccc(C(c2cccc3ccccc23)N(O[Si](C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C27H29NOSi/c1-21-17-19-23(20-18-21)27(26-16-10-12-22-11-8-9-15-25(22)26)28(29-30(2,3)4)24-13-6-5-7-14-24/h5-20,27H,1-4H3
InChIKeyLJWYISZZGNQLGX-UHFFFAOYSA-N
XLogP7.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline 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

(4-methylphenyl)-naphthalen-1-ylmethanethiol
CID 175430187
2-(4-methylphenyl)-4,4-dinaphthalen-1-ylbutanoic acid
CID 77183065
1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene
CID 142867953
N,N-dimethyl-1-(4-methylphenyl)-1-phenylmethanamine
CID 102196523
trimethyl-(1-naphthalen-1-yl-2-phenylethoxy)silane
CID 101130893
(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
CID 28541442
1-[(4-methoxyphenyl)-phenylmethyl]naphthalene
CID 19697043
1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 57075140
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
1-[phenyl-(4-propan-2-ylphenyl)methyl]naphthalene
CID 140715231
1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene
CID 91356771
N-[4-[4-(1-naphthalen-1-yl-1-phenylpropan-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 90694175

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline?
The IUPAC name of N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline (CID 70678197) is N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline.
What is the SMILES notation for N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline?
The canonical SMILES for N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline is Cc1ccc(C(c2cccc3ccccc23)N(O[Si](C)(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline?
The InChIKey is LJWYISZZGNQLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NOSi/c1-21-17-19-23(20-18-21)27(26-16-10-12-22-11-8-9-15-25(22)26)28(29-30(2,3)4)24-13-6-5-7-14-24/h5-20,27H,1-4H3.
What are the key properties of N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline?
N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline has a molecular weight of 411.62 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-naphthalen-1-ylmethyl]-N-trimethylsilyloxyaniline is sourced from PubChem (CID 70678197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).