N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine

C26H23N — CID 139964746

IUPACN-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine
SMILESCc1ccc(C(/N=C/c2ccc3ccccc3c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H23N/c1-19-7-12-23(13-8-19)26(24-14-9-20(2)10-15-24)27-18-21-11-16-22-5-3-4-6-25(22)17-21/h3-18,26H,1-2H3/b27-18+
InChIKeyKLVLNKQNMSHGON-OVVQPSECSA-N
MW349.48 g/mol
LogP6.67
Rot. Bonds4

About N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine

N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine (PubChem CID 139964746) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine.

Molecular Properties

Compound NameN-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine
PubChem CID139964746
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC NameN-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine
SMILESCc1ccc(C(/N=C/c2ccc3ccccc3c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H23N/c1-19-7-12-23(13-8-19)26(24-14-9-20(2)10-15-24)27-18-21-11-16-22-5-3-4-6-25(22)17-21/h3-18,26H,1-2H3/b27-18+
InChIKeyKLVLNKQNMSHGON-OVVQPSECSA-N
XLogP6.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine 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

N-(dinaphthalen-1-ylmethyl)-1-naphthalen-2-ylmethanimine
CID 139964651
N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine
CID 139062263
1-naphthalen-2-yl-N-[(1S)-1-naphthalen-1-ylethyl]methanimine
CID 139062261
2-[bromo-(4-methylphenyl)methyl]naphthalene
CID 63437307
6-bromo-1-[(4-methylphenyl)-[(4-methylphenyl)methylideneamino]methyl]naphthalen-2-ol
CID 139224406
1-naphthalen-2-yl-N-prop-1-enylmethanimine
CID 71411928
2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene
CID 19077007
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
anthracene;1-ethenyl-4-methylbenzene
CID 174555561
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine?
The IUPAC name of N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine (CID 139964746) is N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine.
What is the SMILES notation for N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine?
The canonical SMILES for N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine is Cc1ccc(C(/N=C/c2ccc3ccccc3c2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine?
The InChIKey is KLVLNKQNMSHGON-OVVQPSECSA-N. The full InChI is InChI=1S/C26H23N/c1-19-7-12-23(13-8-19)26(24-14-9-20(2)10-15-24)27-18-21-11-16-22-5-3-4-6-25(22)17-21/h3-18,26H,1-2H3/b27-18+.
What are the key properties of N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine?
N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine has a molecular weight of 349.48 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methylphenyl)methyl]-1-naphthalen-2-ylmethanimine is sourced from PubChem (CID 139964746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).