N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine

C17H29NO — CID 65303301

IUPACN-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCc1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-4-10-18-11-13-19-12-9-16-5-7-17(8-6-16)14-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyXXZYMCGSHCAZPS-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.44
Rot. Bonds10

About N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine

N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine (PubChem CID 65303301) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine
PubChem CID65303301
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCc1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-4-10-18-11-13-19-12-9-16-5-7-17(8-6-16)14-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyXXZYMCGSHCAZPS-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.44
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-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine
CID 65304490
1-(2-methoxyethyl)-4-(2-methylpropyl)benzene
CID 67638248
N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65303163
N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine
CID 63262836
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
CID 62336871
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
CID 103004060
1-(2-methylpropyl)-4-pentylbenzene
CID 57045392
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
[2-[4-(2-methylpropyl)phenyl]ethylamino]methanethiol
CID 115228211

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine (CID 65303301) is N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine is CCCNCCOCCc1ccc(CC(C)C)cc1.
What is the InChIKey of N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine?
The InChIKey is XXZYMCGSHCAZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-10-18-11-13-19-12-9-16-5-7-17(8-6-16)14-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine?
N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 65303301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).