N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine

C24H35NO — CID 54807556

IUPACN-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine
SMILESCCCCCCCCNC(C)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C24H35NO/c1-3-4-5-6-7-13-19-25-21(2)23-16-11-12-17-24(23)26-20-18-22-14-9-8-10-15-22/h8-12,14-17,21,25H,3-7,13,18-20H2,1-2H3
InChIKeyHZQUKOGLSMTDHZ-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.32
Rot. Bonds13

About N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine

N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine (PubChem CID 54807556) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine
PubChem CID54807556
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC NameN-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine
SMILESCCCCCCCCNC(C)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C24H35NO/c1-3-4-5-6-7-13-19-25-21(2)23-16-11-12-17-24(23)26-20-18-22-14-9-8-10-15-22/h8-12,14-17,21,25H,3-7,13,18-20H2,1-2H3
InChIKeyHZQUKOGLSMTDHZ-UHFFFAOYSA-N
XLogP6.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.32
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

1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine
CID 54804755
N-[1-(2-pentoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804469
1-(2-hexoxyphenyl)-N-(2-phenylethyl)ethanamine
CID 54804864
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
N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine
CID 54804998
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226
N-[1-(4-octoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804616

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine?
The IUPAC name of N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine (CID 54807556) is N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine.
What is the SMILES notation for N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine?
The canonical SMILES for N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine is CCCCCCCCNC(C)c1ccccc1OCCc1ccccc1.
What is the InChIKey of N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine?
The InChIKey is HZQUKOGLSMTDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-3-4-5-6-7-13-19-25-21(2)23-16-11-12-17-24(23)26-20-18-22-14-9-8-10-15-22/h8-12,14-17,21,25H,3-7,13,18-20H2,1-2H3.
What are the key properties of N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine?
N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine has a molecular weight of 353.55 g/mol, XLogP of 6.32, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine is sourced from PubChem (CID 54807556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).