4-[methyl(2-phenylethyl)amino]benzaldehyde

C16H17NO — CID 65487426

IUPAC4-[methyl(2-phenylethyl)amino]benzaldehyde
SMILESCN(CCc1ccccc1)c1ccc(C=O)cc1
InChIInChI=1S/C16H17NO/c1-17(12-11-14-5-3-2-4-6-14)16-9-7-15(13-18)8-10-16/h2-10,13H,11-12H2,1H3
InChIKeyNXWLOHHIHJNMCB-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.18
Rot. Bonds5

About 4-[methyl(2-phenylethyl)amino]benzaldehyde

4-[methyl(2-phenylethyl)amino]benzaldehyde (PubChem CID 65487426) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[methyl(2-phenylethyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[methyl(2-phenylethyl)amino]benzaldehyde
PubChem CID65487426
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-[methyl(2-phenylethyl)amino]benzaldehyde
SMILESCN(CCc1ccccc1)c1ccc(C=O)cc1
InChIInChI=1S/C16H17NO/c1-17(12-11-14-5-3-2-4-6-14)16-9-7-15(13-18)8-10-16/h2-10,13H,11-12H2,1H3
InChIKeyNXWLOHHIHJNMCB-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-fluoro-N-methylanilino)ethyl]benzaldehyde
CID 125499661
2-bromo-4-[methyl(2-phenylethyl)amino]benzaldehyde
CID 114060061
4-[2-aminoethyl(methyl)amino]benzaldehyde
CID 138510674
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894
4-(N-benzyl-4-formylanilino)benzaldehyde
CID 18955916
4-[methyl(2-phenylethyl)amino]benzenecarbothioamide
CID 62971229
N-methyl-N-(2-phenylethyl)-4-(trifluoromethoxy)aniline
CID 91523939
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
3-[(N-methylanilino)methyl]benzaldehyde
CID 122476125
4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde
CID 19981020
4-[[benzyl(hydroxy)amino]methyl]benzaldehyde
CID 143874534

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-phenylethyl)amino]benzaldehyde?
The IUPAC name of 4-[methyl(2-phenylethyl)amino]benzaldehyde (CID 65487426) is 4-[methyl(2-phenylethyl)amino]benzaldehyde.
What is the SMILES notation for 4-[methyl(2-phenylethyl)amino]benzaldehyde?
The canonical SMILES for 4-[methyl(2-phenylethyl)amino]benzaldehyde is CN(CCc1ccccc1)c1ccc(C=O)cc1.
What is the InChIKey of 4-[methyl(2-phenylethyl)amino]benzaldehyde?
The InChIKey is NXWLOHHIHJNMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-17(12-11-14-5-3-2-4-6-14)16-9-7-15(13-18)8-10-16/h2-10,13H,11-12H2,1H3.
What are the key properties of 4-[methyl(2-phenylethyl)amino]benzaldehyde?
4-[methyl(2-phenylethyl)amino]benzaldehyde has a molecular weight of 239.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-phenylethyl)amino]benzaldehyde is sourced from PubChem (CID 65487426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).