5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol

C14H23NO2 — CID 78933156

IUPAC5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
SMILESCC[C@H](N)c1ccccc1OCCCCCO
InChIInChI=1S/C14H23NO2/c1-2-13(15)12-8-4-5-9-14(12)17-11-7-3-6-10-16/h4-5,8-9,13,16H,2-3,6-7,10-11,15H2,1H3/t13-/m0/s1
InChIKeyGCLUSYBCZMNTCM-ZDUSSCGKSA-N
MW237.34 g/mol
LogP2.64
Rot. Bonds8

About 5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol

5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol (PubChem CID 78933156) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
PubChem CID78933156
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
SMILESCC[C@H](N)c1ccccc1OCCCCCO
InChIInChI=1S/C14H23NO2/c1-2-13(15)12-8-4-5-9-14(12)17-11-7-3-6-10-16/h4-5,8-9,13,16H,2-3,6-7,10-11,15H2,1H3/t13-/m0/s1
InChIKeyGCLUSYBCZMNTCM-ZDUSSCGKSA-N
XLogP2.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
4-[2-(1-aminopropyl)phenoxy]-N-methylbutanamide
CID 63890939
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol (CID 78933156) is 5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol is CC[C@H](N)c1ccccc1OCCCCCO.
What is the InChIKey of 5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol?
The InChIKey is GCLUSYBCZMNTCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-13(15)12-8-4-5-9-14(12)17-11-7-3-6-10-16/h4-5,8-9,13,16H,2-3,6-7,10-11,15H2,1H3/t13-/m0/s1.
What are the key properties of 5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol?
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 78933156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).