N-ethyl-2-heptoxy-1-phenylethanamine

C17H29NO — CID 63475443

IUPACN-ethyl-2-heptoxy-1-phenylethanamine
SMILESCCCCCCCOCC(NCC)c1ccccc1
InChIInChI=1S/C17H29NO/c1-3-5-6-7-11-14-19-15-17(18-4-2)16-12-9-8-10-13-16/h8-10,12-13,17-18H,3-7,11,14-15H2,1-2H3
InChIKeyOYIPOVVDQBXXTF-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.32
Rot. Bonds11

About N-ethyl-2-heptoxy-1-phenylethanamine

N-ethyl-2-heptoxy-1-phenylethanamine (PubChem CID 63475443) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-ethyl-2-heptoxy-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-heptoxy-1-phenylethanamine
PubChem CID63475443
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-2-heptoxy-1-phenylethanamine
SMILESCCCCCCCOCC(NCC)c1ccccc1
InChIInChI=1S/C17H29NO/c1-3-5-6-7-11-14-19-15-17(18-4-2)16-12-9-8-10-13-16/h8-10,12-13,17-18H,3-7,11,14-15H2,1-2H3
InChIKeyOYIPOVVDQBXXTF-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
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-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509
1-octoxypropan-2-ylbenzene
CID 77473849
2-pentoxy-1-phenylethanamine
CID 43275081
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
1-(2,4-dimethylphenyl)-N-ethyl-2-hexoxyethanamine
CID 63475828
1-nonoxypropan-2-yloxybenzene
CID 154296421
N-[(1S)-2-[6-[(2S)-2-formamido-2-phenylethoxy]hexoxy]-1-phenylethyl]formamide
CID 155137580

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-heptoxy-1-phenylethanamine?
The IUPAC name of N-ethyl-2-heptoxy-1-phenylethanamine (CID 63475443) is N-ethyl-2-heptoxy-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-heptoxy-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-heptoxy-1-phenylethanamine is CCCCCCCOCC(NCC)c1ccccc1.
What is the InChIKey of N-ethyl-2-heptoxy-1-phenylethanamine?
The InChIKey is OYIPOVVDQBXXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-5-6-7-11-14-19-15-17(18-4-2)16-12-9-8-10-13-16/h8-10,12-13,17-18H,3-7,11,14-15H2,1-2H3.
What are the key properties of N-ethyl-2-heptoxy-1-phenylethanamine?
N-ethyl-2-heptoxy-1-phenylethanamine has a molecular weight of 263.42 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-heptoxy-1-phenylethanamine is sourced from PubChem (CID 63475443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).