ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane

C17H33NO — CID 176965315

IUPACethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
SMILESCC.CCC.CCNCc1cc(C)cc(C)c1OC
InChIInChI=1S/C12H19NO.C3H8.C2H6/c1-5-13-8-11-7-9(2)6-10(3)12(11)14-4;1-3-2;1-2/h6-7,13H,5,8H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyQOVCGDFZJONPKS-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.86
Rot. Bonds4

About ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane

ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane (PubChem CID 176965315) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane.

Molecular Properties

Compound Nameethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
PubChem CID176965315
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Nameethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
SMILESCC.CCC.CCNCc1cc(C)cc(C)c1OC
InChIInChI=1S/C12H19NO.C3H8.C2H6/c1-5-13-8-11-7-9(2)6-10(3)12(11)14-4;1-3-2;1-2/h6-7,13H,5,8H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyQOVCGDFZJONPKS-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
1-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-2-one
CID 115234729
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 98014326
2-amino-3-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120568
1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222255
(2-methoxy-3,5-dimethylphenyl)methylcarbamothioic S-acid
CID 115169975
N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206963
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208267
2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide
CID 115186984
(E)-4-[(2-methoxy-3,5-dimethylphenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177212

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane?
The IUPAC name of ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane (CID 176965315) is ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane.
What is the SMILES notation for ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane?
The canonical SMILES for ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane is CC.CCC.CCNCc1cc(C)cc(C)c1OC.
What is the InChIKey of ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane?
The InChIKey is QOVCGDFZJONPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C3H8.C2H6/c1-5-13-8-11-7-9(2)6-10(3)12(11)14-4;1-3-2;1-2/h6-7,13H,5,8H2,1-4H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane?
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane has a molecular weight of 267.46 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane is sourced from PubChem (CID 176965315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).