N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine

C17H29NO2 — CID 103413713

IUPACN-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
SMILESCCNC(CCCCCOCCOC)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-3-18-17(16-10-6-4-7-11-16)12-8-5-9-13-20-15-14-19-2/h4,6-7,10-11,17-18H,3,5,8-9,12-15H2,1-2H3
InChIKeySXIUWVOGJGPQNU-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.56
Rot. Bonds12

About N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine

N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine (PubChem CID 103413713) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
PubChem CID103413713
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
SMILESCCNC(CCCCCOCCOC)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-3-18-17(16-10-6-4-7-11-16)12-8-5-9-13-20-15-14-19-2/h4,6-7,10-11,17-18H,3,5,8-9,12-15H2,1-2H3
InChIKeySXIUWVOGJGPQNU-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
7-(2-methoxyethoxy)heptan-3-ylbenzene
CID 59850685
N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82953260
N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 102928428
N-ethyl-7-methoxy-2-phenylheptan-3-amine
CID 112754792

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine?
The IUPAC name of N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine (CID 103413713) is N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine.
What is the SMILES notation for N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine?
The canonical SMILES for N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine is CCNC(CCCCCOCCOC)c1ccccc1.
What is the InChIKey of N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine?
The InChIKey is SXIUWVOGJGPQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-18-17(16-10-6-4-7-11-16)12-8-5-9-13-20-15-14-19-2/h4,6-7,10-11,17-18H,3,5,8-9,12-15H2,1-2H3.
What are the key properties of N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine?
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.56, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine is sourced from PubChem (CID 103413713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).