N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline

C29H32N2O2 — CID 158131264

IUPACN,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
SMILESCNc1ccc(OCc2ccccc2)cc1C.Cc1cc(OCc2ccccc2)ccc1N
InChIInChI=1S/C15H17NO.C14H15NO/c1-12-10-14(8-9-15(12)16-2)17-11-13-6-4-3-5-7-13;1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h3-10,16H,11H2,1-2H3;2-9H,10,15H2,1H3
InChIKeyFSULRJWXRCSNLL-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.77
Rot. Bonds7

About N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline

N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline (PubChem CID 158131264) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
PubChem CID158131264
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
SMILESCNc1ccc(OCc2ccccc2)cc1C.Cc1cc(OCc2ccccc2)ccc1N
InChIInChI=1S/C15H17NO.C14H15NO/c1-12-10-14(8-9-15(12)16-2)17-11-13-6-4-3-5-7-13;1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h3-10,16H,11H2,1-2H3;2-9H,10,15H2,1H3
InChIKeyFSULRJWXRCSNLL-UHFFFAOYSA-N
XLogP6.77
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-iodophenyl)methoxy]-2-methylaniline
CID 65498774
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
2-(aminomethyl)-4-phenylmethoxyaniline
CID 156839624
methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601
1-(2-hydroxyethyl)-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 111424849
2-bromo-3-methyl-5-phenylmethoxypyridine
CID 171367579
4-phenylmethoxy-2-(phenylmethoxymethyl)aniline
CID 58999316
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
CID 146295838
N,2-dimethyl-4-phenylmethoxyaniline;3-(4-fluorophenyl)-1-(4-hydroxy-2-methylphenyl)-1-methylurea
CID 160962591
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline?
The IUPAC name of N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline (CID 158131264) is N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline.
What is the SMILES notation for N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline?
The canonical SMILES for N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline is CNc1ccc(OCc2ccccc2)cc1C.Cc1cc(OCc2ccccc2)ccc1N.
What is the InChIKey of N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline?
The InChIKey is FSULRJWXRCSNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C14H15NO/c1-12-10-14(8-9-15(12)16-2)17-11-13-6-4-3-5-7-13;1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h3-10,16H,11H2,1-2H3;2-9H,10,15H2,1H3.
What are the key properties of N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline?
N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline has a molecular weight of 440.59 g/mol, XLogP of 6.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline is sourced from PubChem (CID 158131264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).