1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol

C16H24ClNO3 — CID 114756306

IUPAC1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
SMILESCc1cc(OCC(O)CNCC2(CCO)CC2)ccc1Cl
InChIInChI=1S/C16H24ClNO3/c1-12-8-14(2-3-15(12)17)21-10-13(20)9-18-11-16(4-5-16)6-7-19/h2-3,8,13,18-20H,4-7,9-11H2,1H3
InChIKeyRXLUZHPLXBIZAT-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.14
Rot. Bonds9

About 1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol

1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol (PubChem CID 114756306) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
PubChem CID114756306
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
SMILESCc1cc(OCC(O)CNCC2(CCO)CC2)ccc1Cl
InChIInChI=1S/C16H24ClNO3/c1-12-8-14(2-3-15(12)17)21-10-13(20)9-18-11-16(4-5-16)6-7-19/h2-3,8,13,18-20H,4-7,9-11H2,1H3
InChIKeyRXLUZHPLXBIZAT-UHFFFAOYSA-N
XLogP2.14
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756333
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
(2R)-1-(butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 7013121
2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751110
1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941799
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
1-(4-chloro-3-methylphenoxy)-3-(3-methoxypropylamino)propan-2-ol
CID 60633816
1-(4-chloro-3-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633671
1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463569

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
The IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol (CID 114756306) is 1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol is Cc1cc(OCC(O)CNCC2(CCO)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
The InChIKey is RXLUZHPLXBIZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-12-8-14(2-3-15(12)17)21-10-13(20)9-18-11-16(4-5-16)6-7-19/h2-3,8,13,18-20H,4-7,9-11H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol has a molecular weight of 313.82 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol is sourced from PubChem (CID 114756306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).