(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine

C14H23NO2 — CID 106450348

IUPAC(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
SMILESCCCOCCOc1ccc([C@H](N)CC)cc1
InChIInChI=1S/C14H23NO2/c1-3-9-16-10-11-17-13-7-5-12(6-8-13)14(15)4-2/h5-8,14H,3-4,9-11,15H2,1-2H3/t14-/m1/s1
InChIKeyGXYFUFAIQGOTFV-CQSZACIVSA-N
MW237.34 g/mol
LogP2.90
Rot. Bonds8

About (1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine

(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine (PubChem CID 106450348) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
PubChem CID106450348
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
SMILESCCCOCCOc1ccc([C@H](N)CC)cc1
InChIInChI=1S/C14H23NO2/c1-3-9-16-10-11-17-13-7-5-12(6-8-13)14(15)4-2/h5-8,14H,3-4,9-11,15H2,1-2H3/t14-/m1/s1
InChIKeyGXYFUFAIQGOTFV-CQSZACIVSA-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-propoxyphenyl)propan-1-amine
CID 16783118
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
CID 78937234
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
CID 103177829
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
(1S)-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014746
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine (CID 106450348) is (1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine is CCCOCCOc1ccc([C@H](N)CC)cc1.
What is the InChIKey of (1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine?
The InChIKey is GXYFUFAIQGOTFV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-9-16-10-11-17-13-7-5-12(6-8-13)14(15)4-2/h5-8,14H,3-4,9-11,15H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine?
(1R)-1-[4-(2-propoxyethoxy)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 (1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 106450348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).