ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine

C14H25N — CID 91246337

IUPACethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
SMILESCC.CCNCC(C)Cc1ccccc1
InChIInChI=1S/C12H19N.C2H6/c1-3-13-10-11(2)9-12-7-5-4-6-8-12;1-2/h4-8,11,13H,3,9-10H2,1-2H3;1-2H3
InChIKeyCGVOEFPWNMCKHR-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.50
Rot. Bonds5

About ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine

ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine (PubChem CID 91246337) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
PubChem CID91246337
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Nameethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
SMILESCC.CCNCC(C)Cc1ccccc1
InChIInChI=1S/C12H19N.C2H6/c1-3-13-10-11(2)9-12-7-5-4-6-8-12;1-2/h4-8,11,13H,3,9-10H2,1-2H3;1-2H3
InChIKeyCGVOEFPWNMCKHR-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine
CID 22955490
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(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
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N-(ethylsulfamoyl)-2-methyl-3-phenylpropan-1-amine
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N-ethyl-2-methyl-3-pyrimidin-5-ylpropan-1-amine
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2-benzyl-N-ethyl-3-methoxypropan-1-amine
CID 103984212
2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 63496180
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine
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N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide
CID 110358143
2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine
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N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine?
The IUPAC name of ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine (CID 91246337) is ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine?
The canonical SMILES for ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine is CC.CCNCC(C)Cc1ccccc1.
What is the InChIKey of ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine?
The InChIKey is CGVOEFPWNMCKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C2H6/c1-3-13-10-11(2)9-12-7-5-4-6-8-12;1-2/h4-8,11,13H,3,9-10H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine?
ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 91246337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).