4-amino-3-(3-propoxyphenyl)pentan-1-ol

C14H23NO2 — CID 66092391

IUPAC4-amino-3-(3-propoxyphenyl)pentan-1-ol
SMILESCCCOc1cccc(C(CCO)C(C)N)c1
InChIInChI=1S/C14H23NO2/c1-3-9-17-13-6-4-5-12(10-13)14(7-8-16)11(2)15/h4-6,10-11,14,16H,3,7-9,15H2,1-2H3
InChIKeyFGNZXWJTZHPQOL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.29
Rot. Bonds7

About 4-amino-3-(3-propoxyphenyl)pentan-1-ol

4-amino-3-(3-propoxyphenyl)pentan-1-ol (PubChem CID 66092391) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-amino-3-(3-propoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name4-amino-3-(3-propoxyphenyl)pentan-1-ol
PubChem CID66092391
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-amino-3-(3-propoxyphenyl)pentan-1-ol
SMILESCCCOc1cccc(C(CCO)C(C)N)c1
InChIInChI=1S/C14H23NO2/c1-3-9-17-13-6-4-5-12(10-13)14(7-8-16)11(2)15/h4-6,10-11,14,16H,3,7-9,15H2,1-2H3
InChIKeyFGNZXWJTZHPQOL-UHFFFAOYSA-N
XLogP2.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 65190715
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
(2S,3S)-2-methyl-3-(3-propoxyphenyl)pentanoic acid
CID 125467992
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
CID 63367420
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-propoxyphenyl)pentan-1-ol?
The IUPAC name of 4-amino-3-(3-propoxyphenyl)pentan-1-ol (CID 66092391) is 4-amino-3-(3-propoxyphenyl)pentan-1-ol.
What is the SMILES notation for 4-amino-3-(3-propoxyphenyl)pentan-1-ol?
The canonical SMILES for 4-amino-3-(3-propoxyphenyl)pentan-1-ol is CCCOc1cccc(C(CCO)C(C)N)c1.
What is the InChIKey of 4-amino-3-(3-propoxyphenyl)pentan-1-ol?
The InChIKey is FGNZXWJTZHPQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-9-17-13-6-4-5-12(10-13)14(7-8-16)11(2)15/h4-6,10-11,14,16H,3,7-9,15H2,1-2H3.
What are the key properties of 4-amino-3-(3-propoxyphenyl)pentan-1-ol?
4-amino-3-(3-propoxyphenyl)pentan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-propoxyphenyl)pentan-1-ol is sourced from PubChem (CID 66092391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).