N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine

C18H29NO2 — CID 116520835

IUPACN-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(OCC2CCC(C)(C)O2)c(CNC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-13(2)19-11-15-10-14(3)6-7-17(15)20-12-16-8-9-18(4,5)21-16/h6-7,10,13,16,19H,8-9,11-12H2,1-5H3
InChIKeyLUIVGBTWNSDYGM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.83
Rot. Bonds6

About N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine

N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine (PubChem CID 116520835) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
PubChem CID116520835
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(OCC2CCC(C)(C)O2)c(CNC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-13(2)19-11-15-10-14(3)6-7-17(15)20-12-16-8-9-18(4,5)21-16/h6-7,10,13,16,19H,8-9,11-12H2,1-5H3
InChIKeyLUIVGBTWNSDYGM-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133215
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 116520773
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 116520893
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
CID 116520626
5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63326915
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522372
N-[[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 116520729
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 116523092
N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158505
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695869
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine (CID 116520835) is N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine is Cc1ccc(OCC2CCC(C)(C)O2)c(CNC(C)C)c1.
What is the InChIKey of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine?
The InChIKey is LUIVGBTWNSDYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)19-11-15-10-14(3)6-7-17(15)20-12-16-8-9-18(4,5)21-16/h6-7,10,13,16,19H,8-9,11-12H2,1-5H3.
What are the key properties of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine?
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 116520835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).