1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C18H27NO2 — CID 105051346

IUPAC1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(OC2CC2)cc1)C1C(C)OC(C)C1C
InChIInChI=1S/C18H27NO2/c1-11-12(2)20-13(3)17(11)18(19-4)14-5-7-15(8-6-14)21-16-9-10-16/h5-8,11-13,16-19H,9-10H2,1-4H3
InChIKeyQUFBTNWYIOTQPK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 105051346) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID105051346
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(OC2CC2)cc1)C1C(C)OC(C)C1C
InChIInChI=1S/C18H27NO2/c1-11-12(2)20-13(3)17(11)18(19-4)14-5-7-15(8-6-14)21-16-9-10-16/h5-8,11-13,16-19H,9-10H2,1-4H3
InChIKeyQUFBTNWYIOTQPK-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154809
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
N-methyl-1-naphthalen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115850959
1-(3,5-dimethoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105013524
1-(3-methoxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115785256
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156222
1-(4-cyclopropyloxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 105051615
[(4-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105338209
1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 114519704
1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156490
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105018466

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 105051346) is 1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(c1ccc(OC2CC2)cc1)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is QUFBTNWYIOTQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-11-12(2)20-13(3)17(11)18(19-4)14-5-7-15(8-6-14)21-16-9-10-16/h5-8,11-13,16-19H,9-10H2,1-4H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 289.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105051346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).