3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol

C16H27NO2 — CID 114492877

IUPAC3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)COc1ccc(C)cc1
InChIInChI=1S/C16H27NO2/c1-5-16(18,6-2)12-17-14(4)11-19-15-9-7-13(3)8-10-15/h7-10,14,17-18H,5-6,11-12H2,1-4H3
InChIKeyVTGVPSXRWBTJNU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds8

About 3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol

3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol (PubChem CID 114492877) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
PubChem CID114492877
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)COc1ccc(C)cc1
InChIInChI=1S/C16H27NO2/c1-5-16(18,6-2)12-17-14(4)11-19-15-9-7-13(3)8-10-15/h7-10,14,17-18H,5-6,11-12H2,1-4H3
InChIKeyVTGVPSXRWBTJNU-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanoic acid
CID 79623844
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine
CID 61168340
ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate
CID 61168707
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543
6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol
CID 107703257
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide
CID 61486833
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
2,3-dichloro-N-[1-(4-methylphenoxy)propan-2-yl]prop-2-en-1-amine
CID 79168016
N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
CID 61489179
2-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]prop-2-enoic acid
CID 103242898
N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide
CID 77031375

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol (CID 114492877) is 3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)COc1ccc(C)cc1.
What is the InChIKey of 3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol?
The InChIKey is VTGVPSXRWBTJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-16(18,6-2)12-17-14(4)11-19-15-9-7-13(3)8-10-15/h7-10,14,17-18H,5-6,11-12H2,1-4H3.
What are the key properties of 3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol?
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol has a molecular weight of 265.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol is sourced from PubChem (CID 114492877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).