1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine

C24H35NO — CID 54807811

IUPAC1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
SMILESCCCCCCCOc1ccccc1C(C)NCCc1ccccc1C
InChIInChI=1S/C24H35NO/c1-4-5-6-7-12-19-26-24-16-11-10-15-23(24)21(3)25-18-17-22-14-9-8-13-20(22)2/h8-11,13-16,21,25H,4-7,12,17-19H2,1-3H3
InChIKeyCKDQQEXKZIEHGZ-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.24
Rot. Bonds12

About 1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine

1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine (PubChem CID 54807811) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is 1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
PubChem CID54807811
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
SMILESCCCCCCCOc1ccccc1C(C)NCCc1ccccc1C
InChIInChI=1S/C24H35NO/c1-4-5-6-7-12-19-26-24-16-11-10-15-23(24)21(3)25-18-17-22-14-9-8-13-20(22)2/h8-11,13-16,21,25H,4-7,12,17-19H2,1-3H3
InChIKeyCKDQQEXKZIEHGZ-UHFFFAOYSA-N
XLogP6.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.24
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-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine
CID 54804755
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
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 100556304
N-[1-(2-butoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804468
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine
CID 54807525
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine (CID 54807811) is 1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine is CCCCCCCOc1ccccc1C(C)NCCc1ccccc1C.
What is the InChIKey of 1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is CKDQQEXKZIEHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-4-5-6-7-12-19-26-24-16-11-10-15-23(24)21(3)25-18-17-22-14-9-8-13-20(22)2/h8-11,13-16,21,25H,4-7,12,17-19H2,1-3H3.
What are the key properties of 1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine?
1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine has a molecular weight of 353.55 g/mol, XLogP of 6.24, 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-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 54807811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).