N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine

C16H27NO2 — CID 43279451

IUPACN-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C16H27NO2/c1-6-17-13(4)14-7-8-15(16(11-14)18-5)19-10-9-12(2)3/h7-8,11-13,17H,6,9-10H2,1-5H3
InChIKeyRMBPNPBCXGKOTQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.79
Rot. Bonds8

About N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine

N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine (PubChem CID 43279451) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine
PubChem CID43279451
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C16H27NO2/c1-6-17-13(4)14-7-8-15(16(11-14)18-5)19-10-9-12(2)3/h7-8,11-13,17H,6,9-10H2,1-5H3
InChIKeyRMBPNPBCXGKOTQ-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190643
N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide
CID 47062244
1-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60882670
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 43279473
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
CID 43279460
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
N-ethyl-1-[4-methoxy-3-(3-methylbutylsulfanylmethyl)phenyl]ethanamine
CID 107764159
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657
N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60882672

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine (CID 43279451) is N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine is CCNC(C)c1ccc(OCCC(C)C)c(OC)c1.
What is the InChIKey of N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine?
The InChIKey is RMBPNPBCXGKOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-17-13(4)14-7-8-15(16(11-14)18-5)19-10-9-12(2)3/h7-8,11-13,17H,6,9-10H2,1-5H3.
What are the key properties of N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine?
N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 43279451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).