3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol

C14H23NO4 — CID 114358070

IUPAC3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol
SMILESCCCOc1ccc(OC(CO)C(N)COC)cc1
InChIInChI=1S/C14H23NO4/c1-3-8-18-11-4-6-12(7-5-11)19-14(9-16)13(15)10-17-2/h4-7,13-14,16H,3,8-10,15H2,1-2H3
InChIKeyWPQSMAOVGSCQII-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.19
Rot. Bonds9

About 3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol

3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol (PubChem CID 114358070) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol
PubChem CID114358070
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol
SMILESCCCOc1ccc(OC(CO)C(N)COC)cc1
InChIInChI=1S/C14H23NO4/c1-3-8-18-11-4-6-12(7-5-11)19-14(9-16)13(15)10-17-2/h4-7,13-14,16H,3,8-10,15H2,1-2H3
InChIKeyWPQSMAOVGSCQII-UHFFFAOYSA-N
XLogP1.19
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 114358073
3-amino-4-methoxy-2-quinolin-7-yloxybutan-1-ol
CID 107313486
3-amino-2-(4-ethylphenoxy)pentan-1-ol
CID 104840555
3-amino-4-(4-propoxyphenoxy)butan-1-ol
CID 64899439
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol
CID 114357961
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol (CID 114358070) is 3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol is CCCOc1ccc(OC(CO)C(N)COC)cc1.
What is the InChIKey of 3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol?
The InChIKey is WPQSMAOVGSCQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-8-18-11-4-6-12(7-5-11)19-14(9-16)13(15)10-17-2/h4-7,13-14,16H,3,8-10,15H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol?
3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol has a molecular weight of 269.34 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol is sourced from PubChem (CID 114358070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).