N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene

C17H23N — CID 142479341

IUPACN-methylethanamine;1-methyl-4-(4-methylphenyl)benzene
SMILESCCNC.Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14.C3H9N/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-4-2/h3-10H,1-2H3;4H,3H2,1-2H3
InChIKeyNJAYJHJPZGDTGH-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.20
Rot. Bonds2

About N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene

N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene (PubChem CID 142479341) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene.

Molecular Properties

Compound NameN-methylethanamine;1-methyl-4-(4-methylphenyl)benzene
PubChem CID142479341
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-methylethanamine;1-methyl-4-(4-methylphenyl)benzene
SMILESCCNC.Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14.C3H9N/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-4-2/h3-10H,1-2H3;4H,3H2,1-2H3
InChIKeyNJAYJHJPZGDTGH-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methylmethanamine;1,4-xylene
CID 66760370
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
acetaldehyde;1-bromo-4-methylbenzene;ethane;N-methylethanamine
CID 163254997
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
methane;propane;1,4-xylene
CID 143560264
methane;propane;1,4-xylene
CID 160778309
ethane;N-methyl-1-(4-methylphenyl)methanamine;propane
CID 168988049
molecular hydrogen;propane;1,4-xylene
CID 170763925
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560
N-methylbut-3-en-1-amine;1,4-xylene
CID 153363449
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943

Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene?
The IUPAC name of N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene (CID 142479341) is N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene.
What is the SMILES notation for N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene?
The canonical SMILES for N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene is CCNC.Cc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene?
The InChIKey is NJAYJHJPZGDTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C3H9N/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-4-2/h3-10H,1-2H3;4H,3H2,1-2H3.
What are the key properties of N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene?
N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene has a molecular weight of 241.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene is sourced from PubChem (CID 142479341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).