N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine

C18H29NO2 — CID 116520893

IUPACN-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cccc(CNC(C)C)c1OCC1CCC(C)(C)O1
InChIInChI=1S/C18H29NO2/c1-13(2)19-11-15-8-6-7-14(3)17(15)20-12-16-9-10-18(4,5)21-16/h6-8,13,16,19H,9-12H2,1-5H3
InChIKeyMSXJNRZRXQZRIM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.83
Rot. Bonds6

About N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine

N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine (PubChem CID 116520893) 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]-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
PubChem CID116520893
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cccc(CNC(C)C)c1OCC1CCC(C)(C)O1
InChIInChI=1S/C18H29NO2/c1-13(2)19-11-15-8-6-7-14(3)17(15)20-12-16-9-10-18(4,5)21-16/h6-8,13,16,19H,9-12H2,1-5H3
InChIKeyMSXJNRZRXQZRIM-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-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 116520835
N-[[2-(3,3-dimethylbutoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610090
N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610137
[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 102898668
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402
N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954081
1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608312
1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 116521405
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151
2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115954254

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine (CID 116520893) is N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine is Cc1cccc(CNC(C)C)c1OCC1CCC(C)(C)O1.
What is the InChIKey of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is MSXJNRZRXQZRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)19-11-15-8-6-7-14(3)17(15)20-12-16-9-10-18(4,5)21-16/h6-8,13,16,19H,9-12H2,1-5H3.
What are the key properties of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine?
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-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]-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 116520893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).