N-ethyl-1-(4-hexoxyphenyl)ethanamine

C16H27NO — CID 43279274

IUPACN-ethyl-1-(4-hexoxyphenyl)ethanamine
SMILESCCCCCCOc1ccc(C(C)NCC)cc1
InChIInChI=1S/C16H27NO/c1-4-6-7-8-13-18-16-11-9-15(10-12-16)14(3)17-5-2/h9-12,14,17H,4-8,13H2,1-3H3
InChIKeyPGMZQRXOIPEHIS-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.32
Rot. Bonds9

About N-ethyl-1-(4-hexoxyphenyl)ethanamine

N-ethyl-1-(4-hexoxyphenyl)ethanamine (PubChem CID 43279274) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-1-(4-hexoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-hexoxyphenyl)ethanamine
PubChem CID43279274
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-1-(4-hexoxyphenyl)ethanamine
SMILESCCCCCCOc1ccc(C(C)NCC)cc1
InChIInChI=1S/C16H27NO/c1-4-6-7-8-13-18-16-11-9-15(10-12-16)14(3)17-5-2/h9-12,14,17H,4-8,13H2,1-3H3
InChIKeyPGMZQRXOIPEHIS-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43285146
N-[1-(4-octoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804616
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505631
1-(4-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60880991
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587927

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-hexoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-hexoxyphenyl)ethanamine (CID 43279274) is N-ethyl-1-(4-hexoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-hexoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-hexoxyphenyl)ethanamine is CCCCCCOc1ccc(C(C)NCC)cc1.
What is the InChIKey of N-ethyl-1-(4-hexoxyphenyl)ethanamine?
The InChIKey is PGMZQRXOIPEHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-7-8-13-18-16-11-9-15(10-12-16)14(3)17-5-2/h9-12,14,17H,4-8,13H2,1-3H3.
What are the key properties of N-ethyl-1-(4-hexoxyphenyl)ethanamine?
N-ethyl-1-(4-hexoxyphenyl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-hexoxyphenyl)ethanamine is sourced from PubChem (CID 43279274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).