ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine

C13H23N — CID 143652476

IUPACethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine
SMILESCC.CCc1ccc(CN(C)C)cc1
InChIInChI=1S/C11H17N.C2H6/c1-4-10-5-7-11(8-6-10)9-12(2)3;1-2/h5-8H,4,9H2,1-3H3;1-2H3
InChIKeyRKILWNLGVYGSTG-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.34
Rot. Bonds3

About ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine

ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine (PubChem CID 143652476) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Nameethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine
PubChem CID143652476
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine
SMILESCC.CCc1ccc(CN(C)C)cc1
InChIInChI=1S/C11H17N.C2H6/c1-4-10-5-7-11(8-6-10)9-12(2)3;1-2/h5-8H,4,9H2,1-3H3;1-2H3
InChIKeyRKILWNLGVYGSTG-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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benzene;N,N-dimethyl-1-phenylmethanamine;ethane
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4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
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N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
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N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
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CID 62021239

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine (CID 143652476) is ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine is CC.CCc1ccc(CN(C)C)cc1.
What is the InChIKey of ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine?
The InChIKey is RKILWNLGVYGSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-4-10-5-7-11(8-6-10)9-12(2)3;1-2/h5-8H,4,9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine?
ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine has a molecular weight of 193.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 143652476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).