4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine

C18H18N2 — CID 28894653

IUPAC4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine
SMILESCN(Cc1cccc2ccccc12)c1ccc(N)cc1
InChIInChI=1S/C18H18N2/c1-20(17-11-9-16(19)10-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15/h2-12H,13,19H2,1H3
InChIKeyLSYNSMKYHAFHJQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.06
Rot. Bonds3

About 4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine

4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine (PubChem CID 28894653) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine
PubChem CID28894653
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine
SMILESCN(Cc1cccc2ccccc12)c1ccc(N)cc1
InChIInChI=1S/C18H18N2/c1-20(17-11-9-16(19)10-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15/h2-12H,13,19H2,1H3
InChIKeyLSYNSMKYHAFHJQ-UHFFFAOYSA-N
XLogP4.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 28894681
4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 43658941
3-[(4-amino-N-methylanilino)methyl]-2-fluorobenzonitrile
CID 107118536
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
CID 115212453
N-(dimethylsulfamoyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 47319808
4-methyl-3-[(N-methylanilino)methyl]aniline
CID 82128220
1-naphthalen-1-yl-N,N-bis(trimethylsilyl)methanamine
CID 11779651
N-(naphthalen-1-ylmethyl)-N-phenylaniline
CID 11088172
4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine
CID 62699938
3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine
CID 79231162

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine (CID 28894653) is 4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine is CN(Cc1cccc2ccccc12)c1ccc(N)cc1.
What is the InChIKey of 4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine?
The InChIKey is LSYNSMKYHAFHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-20(17-11-9-16(19)10-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15/h2-12H,13,19H2,1H3.
What are the key properties of 4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine?
4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine has a molecular weight of 262.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 28894653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).