N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine

C17H27NO2 — CID 103133215

IUPACN-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCC2CCC(C)O2)c(CNC(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)18-10-15-9-13(3)5-8-17(15)19-11-16-7-6-14(4)20-16/h5,8-9,12,14,16,18H,6-7,10-11H2,1-4H3
InChIKeyGYTWGCNSORRBSX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.44
Rot. Bonds6

About N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine

N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 103133215) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID103133215
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCC2CCC(C)O2)c(CNC(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)18-10-15-9-13(3)5-8-17(15)19-11-16-7-6-14(4)20-16/h5,8-9,12,14,16,18H,6-7,10-11H2,1-4H3
InChIKeyGYTWGCNSORRBSX-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 116520835
5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63326915
N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158505
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
CID 81105702
N-[[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 63326742
N-[[2-(4-methoxybutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 104647081
N-[[5-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132827
N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
CID 55204171
1-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988007
N-cyclopropyl-N-methyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63323656

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine (CID 103133215) is N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine is Cc1ccc(OCC2CCC(C)O2)c(CNC(C)C)c1.
What is the InChIKey of N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is GYTWGCNSORRBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)18-10-15-9-13(3)5-8-17(15)19-11-16-7-6-14(4)20-16/h5,8-9,12,14,16,18H,6-7,10-11H2,1-4H3.
What are the key properties of N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 103133215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).