1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol

C15H22ClNO3 — CID 114756333

IUPAC1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
SMILESOCCC1(CNCC(O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClNO3/c16-12-2-1-3-14(8-12)20-10-13(19)9-17-11-15(4-5-15)6-7-18/h1-3,8,13,17-19H,4-7,9-11H2
InChIKeyMFALBSIDAIDGLP-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.83
Rot. Bonds9

About 1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol

1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol (PubChem CID 114756333) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
PubChem CID114756333
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
SMILESOCCC1(CNCC(O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClNO3/c16-12-2-1-3-14(8-12)20-10-13(19)9-17-11-15(4-5-15)6-7-18/h1-3,8,13,17-19H,4-7,9-11H2
InChIKeyMFALBSIDAIDGLP-UHFFFAOYSA-N
XLogP1.83
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756306
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 115454816
1-(3-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454685
1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104760727
1-(3-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propan-2-ol
CID 115359523
1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712910
1-(but-3-enylamino)-3-(3-chlorophenoxy)propan-2-ol
CID 113465655
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585707
1-(3-chlorophenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211470
1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633223

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol (CID 114756333) is 1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol is OCCC1(CNCC(O)COc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
The InChIKey is MFALBSIDAIDGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c16-12-2-1-3-14(8-12)20-10-13(19)9-17-11-15(4-5-15)6-7-18/h1-3,8,13,17-19H,4-7,9-11H2.
What are the key properties of 1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol has a molecular weight of 299.80 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol is sourced from PubChem (CID 114756333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).