(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine

C14H21NO — CID 78967480

IUPAC(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine
SMILESC=CCCCOc1ccc([C@@H](N)CC)cc1
InChIInChI=1S/C14H21NO/c1-3-5-6-11-16-13-9-7-12(8-10-13)14(15)4-2/h3,7-10,14H,1,4-6,11,15H2,2H3/t14-/m0/s1
InChIKeyUZMDMZLMKGJJGJ-AWEZNQCLSA-N
MW219.33 g/mol
LogP3.44
Rot. Bonds7

About (1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine

(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine (PubChem CID 78967480) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine
PubChem CID78967480
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine
SMILESC=CCCCOc1ccc([C@@H](N)CC)cc1
InChIInChI=1S/C14H21NO/c1-3-5-6-11-16-13-9-7-12(8-10-13)14(15)4-2/h3,7-10,14H,1,4-6,11,15H2,2H3/t14-/m0/s1
InChIKeyUZMDMZLMKGJJGJ-AWEZNQCLSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hept-6-enoxyphenyl)propan-1-amine
CID 107006008
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
1-(4-hept-6-enoxyphenyl)ethanamine
CID 107006007
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
5-[4-(1-aminopropyl)phenoxy]pentanenitrile
CID 54966257

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine?
The IUPAC name of (1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine (CID 78967480) is (1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine is C=CCCCOc1ccc([C@@H](N)CC)cc1.
What is the InChIKey of (1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine?
The InChIKey is UZMDMZLMKGJJGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-5-6-11-16-13-9-7-12(8-10-13)14(15)4-2/h3,7-10,14H,1,4-6,11,15H2,2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine?
(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine is sourced from PubChem (CID 78967480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).