1-methyl-3-(4-methylphenyl)benzene;propan-1-imine

C17H21N — CID 144963776

IUPAC1-methyl-3-(4-methylphenyl)benzene;propan-1-imine
SMILESCc1ccc(-c2cccc(C)c2)cc1.[H]/N=C/CC
InChIInChI=1S/C14H14.C3H7N/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-2-3-4/h3-10H,1-2H3;3-4H,2H2,1H3/b;4-3+
InChIKeyBNSXJZCLTXYHSL-SCBDLNNBSA-N
MW239.36 g/mol
LogP5.02
Rot. Bonds2

About 1-methyl-3-(4-methylphenyl)benzene;propan-1-imine

1-methyl-3-(4-methylphenyl)benzene;propan-1-imine (PubChem CID 144963776) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)benzene;propan-1-imine.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)benzene;propan-1-imine
PubChem CID144963776
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-methyl-3-(4-methylphenyl)benzene;propan-1-imine
SMILESCc1ccc(-c2cccc(C)c2)cc1.[H]/N=C/CC
InChIInChI=1S/C14H14.C3H7N/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-2-3-4/h3-10H,1-2H3;3-4H,2H2,1H3/b;4-3+
InChIKeyBNSXJZCLTXYHSL-SCBDLNNBSA-N
XLogP5.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
2-[2,4-bis(4-methylphenyl)phenyl]ethanimine
CID 57054475
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
CID 12049245
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
1-methyl-3-[4-(4-propylphenyl)phenyl]benzene
CID 123480159
butane;1-chloro-4-(3-methylphenyl)benzene
CID 143529938
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylphenyl)benzene;propan-1-imine?
The IUPAC name of 1-methyl-3-(4-methylphenyl)benzene;propan-1-imine (CID 144963776) is 1-methyl-3-(4-methylphenyl)benzene;propan-1-imine.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)benzene;propan-1-imine?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)benzene;propan-1-imine is Cc1ccc(-c2cccc(C)c2)cc1.[H]/N=C/CC.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)benzene;propan-1-imine?
The InChIKey is BNSXJZCLTXYHSL-SCBDLNNBSA-N. The full InChI is InChI=1S/C14H14.C3H7N/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-2-3-4/h3-10H,1-2H3;3-4H,2H2,1H3/b;4-3+.
What are the key properties of 1-methyl-3-(4-methylphenyl)benzene;propan-1-imine?
1-methyl-3-(4-methylphenyl)benzene;propan-1-imine has a molecular weight of 239.36 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)benzene;propan-1-imine is sourced from PubChem (CID 144963776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).