2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol

C14H20FNO2 — CID 102988049

IUPAC2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
SMILESCc1ccc(F)cc1OCCC(CO)NC1CC1
InChIInChI=1S/C14H20FNO2/c1-10-2-3-11(15)8-14(10)18-7-6-13(9-17)16-12-4-5-12/h2-3,8,12-13,16-17H,4-7,9H2,1H3
InChIKeyLULDTPALEVAFCJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.02
Rot. Bonds7

About 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol

2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol (PubChem CID 102988049) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
PubChem CID102988049
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
SMILESCc1ccc(F)cc1OCCC(CO)NC1CC1
InChIInChI=1S/C14H20FNO2/c1-10-2-3-11(15)8-14(10)18-7-6-13(9-17)16-12-4-5-12/h2-3,8,12-13,16-17H,4-7,9H2,1H3
InChIKeyLULDTPALEVAFCJ-UHFFFAOYSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
CID 64809098
2-(cyclopropylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64804090
N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 102987275
2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol
CID 64811420
2-(cyclopropylamino)-4-(3,4-dimethylphenyl)sulfanylbutan-1-ol
CID 64805977
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64809311
4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
CID 64803462
2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid
CID 55143193
2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
CID 63269768
4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
CID 64804927
4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide
CID 102983847

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol (CID 102988049) is 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol is Cc1ccc(F)cc1OCCC(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol?
The InChIKey is LULDTPALEVAFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10-2-3-11(15)8-14(10)18-7-6-13(9-17)16-12-4-5-12/h2-3,8,12-13,16-17H,4-7,9H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol?
2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol is sourced from PubChem (CID 102988049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).