N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane

C17H34N2 — CID 155739258

IUPACN-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane
SMILESCCC.CCN(C)CCCc1ccc(CNC)cc1.[H][H]
InChIInChI=1S/C14H24N2.C3H8.H2/c1-4-16(3)11-5-6-13-7-9-14(10-8-13)12-15-2;1-3-2;/h7-10,15H,4-6,11-12H2,1-3H3;3H2,1-2H3;1H
InChIKeySBHKTROXUHUSSI-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.95
Rot. Bonds7

About N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane

N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane (PubChem CID 155739258) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane
PubChem CID155739258
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane
SMILESCCC.CCN(C)CCCc1ccc(CNC)cc1.[H][H]
InChIInChI=1S/C14H24N2.C3H8.H2/c1-4-16(3)11-5-6-13-7-9-14(10-8-13)12-15-2;1-3-2;/h7-10,15H,4-6,11-12H2,1-3H3;3H2,1-2H3;1H
InChIKeySBHKTROXUHUSSI-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 166461654
3-[4-(aminomethyl)phenyl]-N-ethyl-N-methylpropan-1-amine
CID 155740431
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
N-methyl-1-(4-octylphenyl)methanamine;hydrochloride
CID 173405325
N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106055972
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
ethane;N-methyl-1-(4-propylphenyl)methanamine
CID 176699852
N-benzyl-N-methylethanamine;N-methyl-1-phenylmethanamine
CID 142094869
2-[4-[2-[ethyl(methyl)amino]ethyl]phenyl]-N,N-dimethylethanamine
CID 156861080
N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine
CID 102995290
ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine
CID 170568640
N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 58662120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane?
The IUPAC name of N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane (CID 155739258) is N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane.
What is the SMILES notation for N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane?
The canonical SMILES for N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane is CCC.CCN(C)CCCc1ccc(CNC)cc1.[H][H].
What is the InChIKey of N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane?
The InChIKey is SBHKTROXUHUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.C3H8.H2/c1-4-16(3)11-5-6-13-7-9-14(10-8-13)12-15-2;1-3-2;/h7-10,15H,4-6,11-12H2,1-3H3;3H2,1-2H3;1H.
What are the key properties of N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane?
N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane has a molecular weight of 266.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[4-(methylaminomethyl)phenyl]propan-1-amine;molecular hydrogen;propane is sourced from PubChem (CID 155739258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).