N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine

C17H29NO2 — CID 116720374

IUPACN-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
SMILESCCNC(Cc1cc(C)ccc1OC)C(OC)C(C)C
InChIInChI=1S/C17H29NO2/c1-7-18-15(17(20-6)12(2)3)11-14-10-13(4)8-9-16(14)19-5/h8-10,12,15,17-18H,7,11H2,1-6H3
InChIKeyKTSDPPLGMKENAD-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.20
Rot. Bonds8

About N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine

N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine (PubChem CID 116720374) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
PubChem CID116720374
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
SMILESCCNC(Cc1cc(C)ccc1OC)C(OC)C(C)C
InChIInChI=1S/C17H29NO2/c1-7-18-15(17(20-6)12(2)3)11-14-10-13(4)8-9-16(14)19-5/h8-10,12,15,17-18H,7,11H2,1-6H3
InChIKeyKTSDPPLGMKENAD-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 64532794
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115826696
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
[1,1-dimethoxy-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
CID 105246103
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116721401
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135698
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine (CID 116720374) is N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine is CCNC(Cc1cc(C)ccc1OC)C(OC)C(C)C.
What is the InChIKey of N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine?
The InChIKey is KTSDPPLGMKENAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-18-15(17(20-6)12(2)3)11-14-10-13(4)8-9-16(14)19-5/h8-10,12,15,17-18H,7,11H2,1-6H3.
What are the key properties of N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine?
N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 116720374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).