4-[(R)-methylamino-(4-methylphenyl)methyl]aniline

C15H18N2 — CID 90212370

IUPAC4-[(R)-methylamino-(4-methylphenyl)methyl]aniline
SMILESCN[C@H](c1ccc(C)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H18N2/c1-11-3-5-12(6-4-11)15(17-2)13-7-9-14(16)10-8-13/h3-10,15,17H,16H2,1-2H3/t15-/m1/s1
InChIKeySXOOZFHQUFCALB-OAHLLOKOSA-N
MW226.32 g/mol
LogP2.89
Rot. Bonds3

About 4-[(R)-methylamino-(4-methylphenyl)methyl]aniline

4-[(R)-methylamino-(4-methylphenyl)methyl]aniline (PubChem CID 90212370) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-[(R)-methylamino-(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(R)-methylamino-(4-methylphenyl)methyl]aniline
PubChem CID90212370
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-[(R)-methylamino-(4-methylphenyl)methyl]aniline
SMILESCN[C@H](c1ccc(C)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H18N2/c1-11-3-5-12(6-4-11)15(17-2)13-7-9-14(16)10-8-13/h3-10,15,17H,16H2,1-2H3/t15-/m1/s1
InChIKeySXOOZFHQUFCALB-OAHLLOKOSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
CID 116952017
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
1-[4-(aminomethyl)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 116952210
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
4-methylaniline;trihydrofluoride
CID 70169513
4-methylaniline trifluoride
CID 22627679
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79704486
1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43481801
CID 173375065
CID 173375065
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79692831
4-[methylamino(naphthalen-1-yl)methyl]aniline
CID 116952076
(1R)-1-(furan-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 90212494

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-methylamino-(4-methylphenyl)methyl]aniline?
The IUPAC name of 4-[(R)-methylamino-(4-methylphenyl)methyl]aniline (CID 90212370) is 4-[(R)-methylamino-(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-[(R)-methylamino-(4-methylphenyl)methyl]aniline?
The canonical SMILES for 4-[(R)-methylamino-(4-methylphenyl)methyl]aniline is CN[C@H](c1ccc(C)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[(R)-methylamino-(4-methylphenyl)methyl]aniline?
The InChIKey is SXOOZFHQUFCALB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-3-5-12(6-4-11)15(17-2)13-7-9-14(16)10-8-13/h3-10,15,17H,16H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[(R)-methylamino-(4-methylphenyl)methyl]aniline?
4-[(R)-methylamino-(4-methylphenyl)methyl]aniline has a molecular weight of 226.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-methylamino-(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 90212370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).