1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine

C23H33NO — CID 54804755

IUPAC1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine
SMILESCCCCCCCOc1ccccc1C(C)NCCc1ccccc1
InChIInChI=1S/C23H33NO/c1-3-4-5-6-12-19-25-23-16-11-10-15-22(23)20(2)24-18-17-21-13-8-7-9-14-21/h7-11,13-16,20,24H,3-6,12,17-19H2,1-2H3
InChIKeyJZYXVWSLFMLEAX-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.93
Rot. Bonds12

About 1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine

1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine (PubChem CID 54804755) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine
PubChem CID54804755
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine
SMILESCCCCCCCOc1ccccc1C(C)NCCc1ccccc1
InChIInChI=1S/C23H33NO/c1-3-4-5-6-12-19-25-23-16-11-10-15-22(23)20(2)24-18-17-21-13-8-7-9-14-21/h7-11,13-16,20,24H,3-6,12,17-19H2,1-2H3
InChIKeyJZYXVWSLFMLEAX-UHFFFAOYSA-N
XLogP5.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.93
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

1-(2-hexoxyphenyl)-N-(2-phenylethyl)ethanamine
CID 54804864
N-[1-(2-pentoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804469
N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine
CID 54807556
N-[1-(2-butoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804468
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 54807811
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 100556304
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
1-octoxy-2-propan-2-ylbenzene
CID 64765685
N-(cyclohexylmethyl)-1-(2-heptoxyphenyl)ethanamine
CID 54804382
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
1-(2-ethoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315350

Frequently Asked Questions

What is the IUPAC name of 1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine?
The IUPAC name of 1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine (CID 54804755) is 1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for 1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine?
The canonical SMILES for 1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine is CCCCCCCOc1ccccc1C(C)NCCc1ccccc1.
What is the InChIKey of 1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine?
The InChIKey is JZYXVWSLFMLEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-3-4-5-6-12-19-25-23-16-11-10-15-22(23)20(2)24-18-17-21-13-8-7-9-14-21/h7-11,13-16,20,24H,3-6,12,17-19H2,1-2H3.
What are the key properties of 1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine?
1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine has a molecular weight of 339.52 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine is sourced from PubChem (CID 54804755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).