ethane;N-methyl-1-(4-propylphenyl)methanamine

C13H23N — CID 176699852

IUPACethane;N-methyl-1-(4-propylphenyl)methanamine
SMILESCC.CCCc1ccc(CNC)cc1
InChIInChI=1S/C11H17N.C2H6/c1-3-4-10-5-7-11(8-6-10)9-12-2;1-2/h5-8,12H,3-4,9H2,1-2H3;1-2H3
InChIKeySIFXYISHIMZAOL-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.38
Rot. Bonds4

About ethane;N-methyl-1-(4-propylphenyl)methanamine

ethane;N-methyl-1-(4-propylphenyl)methanamine (PubChem CID 176699852) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;N-methyl-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(4-propylphenyl)methanamine
PubChem CID176699852
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;N-methyl-1-(4-propylphenyl)methanamine
SMILESCC.CCCc1ccc(CNC)cc1
InChIInChI=1S/C11H17N.C2H6/c1-3-4-10-5-7-11(8-6-10)9-12-2;1-2/h5-8,12H,3-4,9H2,1-2H3;1-2H3
InChIKeySIFXYISHIMZAOL-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
N-methyl-1-(4-octylphenyl)methanamine;hydrochloride
CID 173405325
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
ethane;N-methyl-1-(4-methylphenyl)methanamine;propane
CID 168988049
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
N-methyl-1-(6-propyl-3-pyridinyl)methanamine
CID 142021922
N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine
CID 105407260
N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 62548589

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(4-propylphenyl)methanamine?
The IUPAC name of ethane;N-methyl-1-(4-propylphenyl)methanamine (CID 176699852) is ethane;N-methyl-1-(4-propylphenyl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(4-propylphenyl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(4-propylphenyl)methanamine is CC.CCCc1ccc(CNC)cc1.
What is the InChIKey of ethane;N-methyl-1-(4-propylphenyl)methanamine?
The InChIKey is SIFXYISHIMZAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-3-4-10-5-7-11(8-6-10)9-12-2;1-2/h5-8,12H,3-4,9H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(4-propylphenyl)methanamine?
ethane;N-methyl-1-(4-propylphenyl)methanamine has a molecular weight of 193.33 g/mol, XLogP of 3.38, 4 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-propylphenyl)methanamine is sourced from PubChem (CID 176699852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).