1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine

C14H23NO2 — CID 65175902

IUPAC1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
SMILESCCOCCCOc1ccc(C(N)CC)cc1
InChIInChI=1S/C14H23NO2/c1-3-14(15)12-6-8-13(9-7-12)17-11-5-10-16-4-2/h6-9,14H,3-5,10-11,15H2,1-2H3
InChIKeyIYCZUAKZTHSQQZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.90
Rot. Bonds8

About 1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine

1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine (PubChem CID 65175902) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
PubChem CID65175902
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
SMILESCCOCCCOc1ccc(C(N)CC)cc1
InChIInChI=1S/C14H23NO2/c1-3-14(15)12-6-8-13(9-7-12)17-11-5-10-16-4-2/h6-9,14H,3-5,10-11,15H2,1-2H3
InChIKeyIYCZUAKZTHSQQZ-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
CID 103177829
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine
CID 78967480
4-[4-[(1S)-1-aminopropyl]phenoxy]butanenitrile
CID 63367725
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
(1S)-1-[4-(3-ethoxypropoxy)phenyl]ethanol
CID 65175040
5-[4-(1-aminopropyl)phenoxy]pentanenitrile
CID 54966257
4-(3-ethoxypropoxy)aniline
CID 43365878
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine (CID 65175902) is 1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine is CCOCCCOc1ccc(C(N)CC)cc1.
What is the InChIKey of 1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine?
The InChIKey is IYCZUAKZTHSQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-14(15)12-6-8-13(9-7-12)17-11-5-10-16-4-2/h6-9,14H,3-5,10-11,15H2,1-2H3.
What are the key properties of 1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine?
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 65175902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).