3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol

C15H23F2NO3 — CID 62058897

IUPAC3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H23F2NO3/c1-4-15(19,5-2)10-18-9-11-6-7-12(20-3)13(8-11)21-14(16)17/h6-8,14,18-19H,4-5,9-10H2,1-3H3
InChIKeyOMVZSQKBGUOVHL-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.94
Rot. Bonds9

About 3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol

3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol (PubChem CID 62058897) has the molecular formula C15H23F2NO3 and a molecular weight of 303.35 g/mol. Its IUPAC name is 3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol
PubChem CID62058897
Molecular FormulaC15H23F2NO3
Molecular Weight303.35 g/mol
Exact Mass303.16
IUPAC Name3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H23F2NO3/c1-4-15(19,5-2)10-18-9-11-6-7-12(20-3)13(8-11)21-14(16)17/h6-8,14,18-19H,4-5,9-10H2,1-3H3
InChIKeyOMVZSQKBGUOVHL-UHFFFAOYSA-N
XLogP2.94
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol with MolForge

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-ethylpentan-3-amine
CID 65039727
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
CID 115581156
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 63226297
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine
CID 28512615
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylbutan-2-ol
CID 63678697
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 56807264
N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine
CID 78870383
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylethanesulfonamide
CID 102674801
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735580
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
CID 43214494
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(thiophen-3-ylmethyl)methanamine
CID 60760352
(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
CID 28723108

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol (CID 62058897) is 3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCc1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of 3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol?
The InChIKey is OMVZSQKBGUOVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO3/c1-4-15(19,5-2)10-18-9-11-6-7-12(20-3)13(8-11)21-14(16)17/h6-8,14,18-19H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol?
3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol has a molecular weight of 303.35 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 62058897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).