ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine

C32H55N3 — CID 168903163

IUPACethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine
SMILESCC.CC.CC.CNC(C)c1ccccc1.CNCCc1ccccc1.CNCc1ccccc1
InChIInChI=1S/2C9H13N.C8H11N.3C2H6/c1-8(10-2)9-6-4-3-5-7-9;1-10-8-7-9-5-3-2-4-6-9;1-9-7-8-5-3-2-4-6-8;3*1-2/h3-8,10H,1-2H3;2-6,10H,7-8H2,1H3;2-6,9H,7H2,1H3;3*1-2H3
InChIKeyPUNZJGDBCPKCGP-UHFFFAOYSA-N
MW481.81 g/mol
LogP7.90
Rot. Bonds7

About ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine

ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine (PubChem CID 168903163) has the molecular formula C32H55N3 and a molecular weight of 481.81 g/mol. Its IUPAC name is ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine
PubChem CID168903163
Molecular FormulaC32H55N3
Molecular Weight481.81 g/mol
Exact Mass481.44
IUPAC Nameethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine
SMILESCC.CC.CC.CNC(C)c1ccccc1.CNCCc1ccccc1.CNCc1ccccc1
InChIInChI=1S/2C9H13N.C8H11N.3C2H6/c1-8(10-2)9-6-4-3-5-7-9;1-10-8-7-9-5-3-2-4-6-9;1-9-7-8-5-3-2-4-6-8;3*1-2/h3-8,10H,1-2H3;2-6,10H,7-8H2,1H3;2-6,9H,7H2,1H3;3*1-2H3
InChIKeyPUNZJGDBCPKCGP-UHFFFAOYSA-N
XLogP7.90
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.81
LogP ≤ 57.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
ethane;N-methyl-1-phenylethanamine
CID 91444453
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
lithium;hydride;N-methyl-2-phenylethanamine
CID 174675590
borane;N-methyl-1-phenylmethanamine
CID 134979061
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
carbon dioxide;N-methyl-1-phenylethanamine
CID 91452394
ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane
CID 143717501
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine?
The IUPAC name of ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine (CID 168903163) is ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine.
What is the SMILES notation for ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine?
The canonical SMILES for ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine is CC.CC.CC.CNC(C)c1ccccc1.CNCCc1ccccc1.CNCc1ccccc1.
What is the InChIKey of ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine?
The InChIKey is PUNZJGDBCPKCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13N.C8H11N.3C2H6/c1-8(10-2)9-6-4-3-5-7-9;1-10-8-7-9-5-3-2-4-6-9;1-9-7-8-5-3-2-4-6-8;3*1-2/h3-8,10H,1-2H3;2-6,10H,7-8H2,1H3;2-6,9H,7H2,1H3;3*1-2H3.
What are the key properties of ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine?
ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine has a molecular weight of 481.81 g/mol, XLogP of 7.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine is sourced from PubChem (CID 168903163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).