ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine

C14H25N — CID 143246363

IUPACethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine
SMILESCC.CCc1ccccc1CN(C)CC
InChIInChI=1S/C12H19N.C2H6/c1-4-11-8-6-7-9-12(11)10-13(3)5-2;1-2/h6-9H,4-5,10H2,1-3H3;1-2H3
InChIKeyIXYDGVWAHPPGHL-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.73
Rot. Bonds4

About ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine

ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine (PubChem CID 143246363) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Nameethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine
PubChem CID143246363
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Nameethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine
SMILESCC.CCc1ccccc1CN(C)CC
InChIInChI=1S/C12H19N.C2H6/c1-4-11-8-6-7-9-12(11)10-13(3)5-2;1-2/h6-9H,4-5,10H2,1-3H3;1-2H3
InChIKeyIXYDGVWAHPPGHL-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230
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N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 103102282
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane
CID 159486837
2-chloro-3-[[ethyl(methyl)amino]methyl]phenol
CID 127011573
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 115462716
2-[(2-ethylphenyl)methyl-propylamino]acetic acid
CID 65064687
1,2-diethylbenzene;silyloxysilane
CID 158803052
carbonic acid;1,2-diethylbenzene
CID 89388803
1,2-diethylbenzene;propa-1,2-diene
CID 174831347

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine?
The IUPAC name of ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine (CID 143246363) is ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine?
The canonical SMILES for ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine is CC.CCc1ccccc1CN(C)CC.
What is the InChIKey of ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine?
The InChIKey is IXYDGVWAHPPGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C2H6/c1-4-11-8-6-7-9-12(11)10-13(3)5-2;1-2/h6-9H,4-5,10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine?
ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine has a molecular weight of 207.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 143246363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).