N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine

C16H25NO2 — CID 81329924

IUPACN-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)C1CCC(C)O1
InChIInChI=1S/C16H25NO2/c1-11(2)18-14-8-6-13(7-9-14)16(17-4)15-10-5-12(3)19-15/h6-9,11-12,15-17H,5,10H2,1-4H3
InChIKeyUGFOROIJLFQLDP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.30
Rot. Bonds5

About N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine

N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 81329924) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID81329924
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)C1CCC(C)O1
InChIInChI=1S/C16H25NO2/c1-11(2)18-14-8-6-13(7-9-14)16(17-4)15-10-5-12(3)19-15/h6-9,11-12,15-17H,5,10H2,1-4H3
InChIKeyUGFOROIJLFQLDP-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 81331050
1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330124
N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine
CID 115850967
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 61276553
[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326497
N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105019030
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330123
N-methyl-1-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-methyloxolan-2-yl)methanamine
CID 81329816
N-methyl-1-(5-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991165
N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105027443
1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105026304
3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 81329934

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine (CID 81329924) is N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine is CNC(c1ccc(OC(C)C)cc1)C1CCC(C)O1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is UGFOROIJLFQLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)18-14-8-6-13(7-9-14)16(17-4)15-10-5-12(3)19-15/h6-9,11-12,15-17H,5,10H2,1-4H3.
What are the key properties of N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 81329924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).