2-[[methyl(2-phenylethyl)amino]methyl]aniline

C16H20N2 — CID 23507547

IUPAC2-[[methyl(2-phenylethyl)amino]methyl]aniline
SMILESCN(CCc1ccccc1)Cc1ccccc1N
InChIInChI=1S/C16H20N2/c1-18(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-16(15)17/h2-10H,11-13,17H2,1H3
InChIKeyXLNQDRJSCRKYKB-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.94
Rot. Bonds5

About 2-[[methyl(2-phenylethyl)amino]methyl]aniline

2-[[methyl(2-phenylethyl)amino]methyl]aniline (PubChem CID 23507547) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[[methyl(2-phenylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[methyl(2-phenylethyl)amino]methyl]aniline
PubChem CID23507547
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-[[methyl(2-phenylethyl)amino]methyl]aniline
SMILESCN(CCc1ccccc1)Cc1ccccc1N
InChIInChI=1S/C16H20N2/c1-18(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-16(15)17/h2-10H,11-13,17H2,1H3
InChIKeyXLNQDRJSCRKYKB-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
CID 107113490
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid
CID 65488036
2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65483308
2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
CID 43459373
4-chloro-2-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 79582235
3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 65488226
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65485068
2-[[3-ethylsulfonylpropyl(methyl)amino]methyl]aniline
CID 65093141
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-phenylethyl)amino]methyl]aniline?
The IUPAC name of 2-[[methyl(2-phenylethyl)amino]methyl]aniline (CID 23507547) is 2-[[methyl(2-phenylethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[methyl(2-phenylethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[methyl(2-phenylethyl)amino]methyl]aniline is CN(CCc1ccccc1)Cc1ccccc1N.
What is the InChIKey of 2-[[methyl(2-phenylethyl)amino]methyl]aniline?
The InChIKey is XLNQDRJSCRKYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-18(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-16(15)17/h2-10H,11-13,17H2,1H3.
What are the key properties of 2-[[methyl(2-phenylethyl)amino]methyl]aniline?
2-[[methyl(2-phenylethyl)amino]methyl]aniline has a molecular weight of 240.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-phenylethyl)amino]methyl]aniline is sourced from PubChem (CID 23507547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).