1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

C16H23NO2 — CID 105051662

IUPAC1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1cccc(OC2CC2)c1)C1CCOC1C
InChIInChI=1S/C16H23NO2/c1-11-15(8-9-18-11)16(17-2)12-4-3-5-14(10-12)19-13-6-7-13/h3-5,10-11,13,15-17H,6-9H2,1-2H3
InChIKeyNKADNDVNWZLVNF-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.91
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (PubChem CID 105051662) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
PubChem CID105051662
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1cccc(OC2CC2)c1)C1CCOC1C
InChIInChI=1S/C16H23NO2/c1-11-15(8-9-18-11)16(17-2)12-4-3-5-14(10-12)19-13-6-7-13/h3-5,10-11,13,15-17H,6-9H2,1-2H3
InChIKeyNKADNDVNWZLVNF-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105022346
1-(3-cyclopropyloxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 105188648
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760213
1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 115482207
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79758919
1-(3-cyclopropyloxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107191377
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
N-methyl-1-(2-methylcyclopentyl)-1-(3-propan-2-yloxyphenyl)methanamine
CID 107190280
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N-methyl-1-(2-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 79758920
1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79755102
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (CID 105051662) is 1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is CNC(c1cccc(OC2CC2)c1)C1CCOC1C.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The InChIKey is NKADNDVNWZLVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-15(8-9-18-11)16(17-2)12-4-3-5-14(10-12)19-13-6-7-13/h3-5,10-11,13,15-17H,6-9H2,1-2H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine has a molecular weight of 261.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 105051662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).