2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol

C16H25NO2 — CID 64802097

IUPAC2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol
SMILESCc1cccc(OCCCC(C)(CO)NC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-13-5-3-6-15(11-13)19-10-4-9-16(2,12-18)17-14-7-8-14/h3,5-6,11,14,17-18H,4,7-10,12H2,1-2H3
InChIKeyHBMATPRMDKGCDT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol

2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol (PubChem CID 64802097) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol
PubChem CID64802097
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol
SMILESCc1cccc(OCCCC(C)(CO)NC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-13-5-3-6-15(11-13)19-10-4-9-16(2,12-18)17-14-7-8-14/h3,5-6,11,14,17-18H,4,7-10,12H2,1-2H3
InChIKeyHBMATPRMDKGCDT-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64808531
2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
CID 64802296
2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810807
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
CID 64807612
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2,2-dimethyl-5-(3-methylphenoxy)pentanenitrile
CID 65255390
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
2-(cyclopropylamino)-3-(2,4-dimethylphenoxy)-2-methylpropan-1-ol
CID 64803684
2,2-dimethyl-4-(3-methylphenoxy)butanenitrile
CID 65251929
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol (CID 64802097) is 2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol is Cc1cccc(OCCCC(C)(CO)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol?
The InChIKey is HBMATPRMDKGCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-5-3-6-15(11-13)19-10-4-9-16(2,12-18)17-14-7-8-14/h3,5-6,11,14,17-18H,4,7-10,12H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol?
2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol is sourced from PubChem (CID 64802097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).