N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline

C15H18N2O — CID 117027386

IUPACN-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1Nc1ccc(CN)cc1
InChIInChI=1S/C15H18N2O/c1-11-3-8-15(18-2)14(9-11)17-13-6-4-12(10-16)5-7-13/h3-9,17H,10,16H2,1-2H3
InChIKeySSGBJKZNJYAYJH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.21
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline

N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline (PubChem CID 117027386) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline
PubChem CID117027386
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1Nc1ccc(CN)cc1
InChIInChI=1S/C15H18N2O/c1-11-3-8-15(18-2)14(9-11)17-13-6-4-12(10-16)5-7-13/h3-9,17H,10,16H2,1-2H3
InChIKeySSGBJKZNJYAYJH-UHFFFAOYSA-N
XLogP3.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide
CID 112987760
2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
CID 101202824
2,5-dimethoxy-N-(4-methylphenyl)aniline
CID 171920056
2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline
CID 95476937
6-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877582
2-[4-(aminomethyl)phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 43822965
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline
CID 117027311
4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine
CID 117033206
methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate
CID 61306349

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline (CID 117027386) is N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline is COc1ccc(C)cc1Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline?
The InChIKey is SSGBJKZNJYAYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-3-8-15(18-2)14(9-11)17-13-6-4-12(10-16)5-7-13/h3-9,17H,10,16H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline?
N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline has a molecular weight of 242.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 117027386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).