N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine

C18H29NO2 — CID 105156705

IUPACN-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine
SMILESCNC(CCCC1CCCO1)CCOc1cccc(C)c1
InChIInChI=1S/C18H29NO2/c1-15-6-3-9-18(14-15)21-13-11-16(19-2)7-4-8-17-10-5-12-20-17/h3,6,9,14,16-17,19H,4-5,7-8,10-13H2,1-2H3
InChIKeyPDQKVLVVHVAGEG-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.70
Rot. Bonds9

About N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine

N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine (PubChem CID 105156705) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine
PubChem CID105156705
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine
SMILESCNC(CCCC1CCCO1)CCOc1cccc(C)c1
InChIInChI=1S/C18H29NO2/c1-15-6-3-9-18(14-15)21-13-11-16(19-2)7-4-8-17-10-5-12-20-17/h3,6,9,14,16-17,19H,4-5,7-8,10-13H2,1-2H3
InChIKeyPDQKVLVVHVAGEG-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
N-[2-(3-methylphenoxy)ethyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799632
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
CID 65158588
1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61039860
2-[3-(3-propan-2-ylphenoxy)propyl]oxane
CID 123154741
2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
CID 65158699
N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
CID 65164198
1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 66146011
1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993032
1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164845
1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105177460

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine?
The IUPAC name of N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine (CID 105156705) is N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine.
What is the SMILES notation for N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine?
The canonical SMILES for N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine is CNC(CCCC1CCCO1)CCOc1cccc(C)c1.
What is the InChIKey of N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine?
The InChIKey is PDQKVLVVHVAGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15-6-3-9-18(14-15)21-13-11-16(19-2)7-4-8-17-10-5-12-20-17/h3,6,9,14,16-17,19H,4-5,7-8,10-13H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine?
N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine has a molecular weight of 291.44 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine is sourced from PubChem (CID 105156705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).