1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol

C14H21NO4 — CID 107745034

IUPAC1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CO)ccc1OCC(O)(CN)C1CC1
InChIInChI=1S/C14H21NO4/c1-18-13-6-10(7-16)2-5-12(13)19-9-14(17,8-15)11-3-4-11/h2,5-6,11,16-17H,3-4,7-9,15H2,1H3
InChIKeyMASCBPXTTJIFOS-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.67
Rot. Bonds7

About 1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol

1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol (PubChem CID 107745034) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol
PubChem CID107745034
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CO)ccc1OCC(O)(CN)C1CC1
InChIInChI=1S/C14H21NO4/c1-18-13-6-10(7-16)2-5-12(13)19-9-14(17,8-15)11-3-4-11/h2,5-6,11,16-17H,3-4,7-9,15H2,1H3
InChIKeyMASCBPXTTJIFOS-UHFFFAOYSA-N
XLogP0.67
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124
2-(aminomethyl)-2-cyclopropyl-3-(3,4-dimethoxyphenyl)propanoic acid
CID 106489749
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
CID 117318422
[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
CID 107743165
[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
[4-(2-azidoethoxy)-3-methoxyphenyl]methanol
CID 20769149
[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
CID 117389372

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol (CID 107745034) is 1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol is COc1cc(CO)ccc1OCC(O)(CN)C1CC1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol?
The InChIKey is MASCBPXTTJIFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-18-13-6-10(7-16)2-5-12(13)19-9-14(17,8-15)11-3-4-11/h2,5-6,11,16-17H,3-4,7-9,15H2,1H3.
What are the key properties of 1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol?
1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol has a molecular weight of 267.32 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propan-2-ol is sourced from PubChem (CID 107745034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).