N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine

C17H21N — CID 58518810

IUPACN-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
SMILESCCN(C)Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H21N/c1-4-18(3)13-15-7-11-17(12-8-15)16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3
InChIKeyMCCBSKGFPHQKOR-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.11
Rot. Bonds4

About N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine

N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine (PubChem CID 58518810) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
PubChem CID58518810
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
SMILESCCN(C)Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C17H21N/c1-4-18(3)13-15-7-11-17(12-8-15)16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3
InChIKeyMCCBSKGFPHQKOR-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;4-[[ethyl(methyl)amino]methyl]benzoic acid;hydrochloride
CID 70353921
[methyl-[(4-methylphenyl)methyl]amino]methanethiol
CID 115228025
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 58662120
butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 145315457
[4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium
CID 22889878
N-methyl-1-(4-methylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]methanamine
CID 91342631
4-[[ethyl(methyl)amino]methyl]benzonitrile
CID 43247494
1-methyl-1-[(4-methylphenyl)methyl]hydrazine
CID 82280119
N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane
CID 159486837
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine (CID 58518810) is N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine is CCN(C)Cc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine?
The InChIKey is MCCBSKGFPHQKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-4-18(3)13-15-7-11-17(12-8-15)16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3.
What are the key properties of N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine?
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 58518810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).