ethane;N-methyl-1-phenylethanamine

C11H19N — CID 91444453

IUPACethane;N-methyl-1-phenylethanamine
SMILESCC.CNC(C)c1ccccc1
InChIInChI=1S/C9H13N.C2H6/c1-8(10-2)9-6-4-3-5-7-9;1-2/h3-8,10H,1-2H3;1-2H3
InChIKeyJZUQDWACFBVZCZ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.99
Rot. Bonds2

About ethane;N-methyl-1-phenylethanamine

ethane;N-methyl-1-phenylethanamine (PubChem CID 91444453) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is ethane;N-methyl-1-phenylethanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-phenylethanamine
PubChem CID91444453
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Nameethane;N-methyl-1-phenylethanamine
SMILESCC.CNC(C)c1ccccc1
InChIInChI=1S/C9H13N.C2H6/c1-8(10-2)9-6-4-3-5-7-9;1-2/h3-8,10H,1-2H3;1-2H3
InChIKeyJZUQDWACFBVZCZ-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

carbon dioxide;N-methyl-1-phenylethanamine
CID 91452394
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine
CID 168903163
(1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane
CID 143698320
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
cumene;ethane
CID 54306132
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
ethane;1-phenylethylbenzene
CID 164998811

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-phenylethanamine?
The IUPAC name of ethane;N-methyl-1-phenylethanamine (CID 91444453) is ethane;N-methyl-1-phenylethanamine.
What is the SMILES notation for ethane;N-methyl-1-phenylethanamine?
The canonical SMILES for ethane;N-methyl-1-phenylethanamine is CC.CNC(C)c1ccccc1.
What is the InChIKey of ethane;N-methyl-1-phenylethanamine?
The InChIKey is JZUQDWACFBVZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2H6/c1-8(10-2)9-6-4-3-5-7-9;1-2/h3-8,10H,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-1-phenylethanamine?
ethane;N-methyl-1-phenylethanamine has a molecular weight of 165.28 g/mol, XLogP of 2.99, 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-phenylethanamine is sourced from PubChem (CID 91444453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).