(1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine

C14H21NO — CID 78937175

IUPAC(1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCC=C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-4-14(15)12-5-7-13(8-6-12)16-10-9-11(2)3/h5-9,14H,4,10,15H2,1-3H3/t14-/m1/s1
InChIKeyHRAOTFLCWJPXTH-CQSZACIVSA-N
MW219.33 g/mol
LogP3.44
Rot. Bonds5

About (1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine

(1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine (PubChem CID 78937175) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine
PubChem CID78937175
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCC=C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-4-14(15)12-5-7-13(8-6-12)16-10-9-11(2)3/h5-9,14H,4,10,15H2,1-3H3/t14-/m1/s1
InChIKeyHRAOTFLCWJPXTH-CQSZACIVSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[4-[(1R)-1-aminopropyl]phenoxy]butan-2-ol
CID 78937019
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838
1-[4-(1-aminopropyl)phenoxy]propan-2-ol
CID 60880327
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
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-octoxyphenyl)propan-1-amine
CID 78944099
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
(1S)-1-(4-but-2-ynoxyphenyl)propan-1-amine
CID 63367698

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine (CID 78937175) is (1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine is CC[C@@H](N)c1ccc(OCC=C(C)C)cc1.
What is the InChIKey of (1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine?
The InChIKey is HRAOTFLCWJPXTH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-14(15)12-5-7-13(8-6-12)16-10-9-11(2)3/h5-9,14H,4,10,15H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine?
(1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine is sourced from PubChem (CID 78937175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).