N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine

C17H29NO2 — CID 103031663

IUPACN-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)Cc1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-6-18-15(10-11-17(2,3)20-5)12-14-8-7-9-16(13-14)19-4/h7-9,13,15,18H,6,10-12H2,1-5H3
InChIKeyDQRQGVCVADNTSF-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.42
Rot. Bonds9

About N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine

N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine (PubChem CID 103031663) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine
PubChem CID103031663
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)Cc1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-6-18-15(10-11-17(2,3)20-5)12-14-8-7-9-16(13-14)19-4/h7-9,13,15,18H,6,10-12H2,1-5H3
InChIKeyDQRQGVCVADNTSF-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62602505
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CID 103149560
N-ethyl-5-methoxy-1-(6-methoxy-3-pyridinyl)-5-methylhexan-2-amine
CID 103035933
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031493
[1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211444
1-(2-chloro-6-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031888
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105133867

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine?
The IUPAC name of N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine (CID 103031663) is N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine is CCNC(CCC(C)(C)OC)Cc1cccc(OC)c1.
What is the InChIKey of N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine?
The InChIKey is DQRQGVCVADNTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-18-15(10-11-17(2,3)20-5)12-14-8-7-9-16(13-14)19-4/h7-9,13,15,18H,6,10-12H2,1-5H3.
What are the key properties of N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine?
N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine is sourced from PubChem (CID 103031663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).