ethane;N-methyl-1-(4-methylphenyl)methanamine;propane

C14H27N — CID 168988049

IUPACethane;N-methyl-1-(4-methylphenyl)methanamine;propane
SMILESCC.CCC.CNCc1ccc(C)cc1
InChIInChI=1S/C9H13N.C3H8.C2H6/c1-8-3-5-9(6-4-8)7-10-2;1-3-2;1-2/h3-6,10H,7H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyUVTFOJGAUKPDNT-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.16
Rot. Bonds2

About ethane;N-methyl-1-(4-methylphenyl)methanamine;propane

ethane;N-methyl-1-(4-methylphenyl)methanamine;propane (PubChem CID 168988049) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is ethane;N-methyl-1-(4-methylphenyl)methanamine;propane.

Molecular Properties

Compound Nameethane;N-methyl-1-(4-methylphenyl)methanamine;propane
PubChem CID168988049
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nameethane;N-methyl-1-(4-methylphenyl)methanamine;propane
SMILESCC.CCC.CNCc1ccc(C)cc1
InChIInChI=1S/C9H13N.C3H8.C2H6/c1-8-3-5-9(6-4-8)7-10-2;1-3-2;1-2/h3-6,10H,7H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyUVTFOJGAUKPDNT-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
ethane;N-methyl-1-(4-propylphenyl)methanamine
CID 176699852
ethane;1-(4-ethynylphenyl)-N-methylmethanamine;propane
CID 143222901
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(4-methylphenyl)methanamine;propane?
The IUPAC name of ethane;N-methyl-1-(4-methylphenyl)methanamine;propane (CID 168988049) is ethane;N-methyl-1-(4-methylphenyl)methanamine;propane.
What is the SMILES notation for ethane;N-methyl-1-(4-methylphenyl)methanamine;propane?
The canonical SMILES for ethane;N-methyl-1-(4-methylphenyl)methanamine;propane is CC.CCC.CNCc1ccc(C)cc1.
What is the InChIKey of ethane;N-methyl-1-(4-methylphenyl)methanamine;propane?
The InChIKey is UVTFOJGAUKPDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C3H8.C2H6/c1-8-3-5-9(6-4-8)7-10-2;1-3-2;1-2/h3-6,10H,7H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(4-methylphenyl)methanamine;propane?
ethane;N-methyl-1-(4-methylphenyl)methanamine;propane has a molecular weight of 209.38 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(4-methylphenyl)methanamine;propane is sourced from PubChem (CID 168988049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).