N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine

C18H29NO — CID 105050527

IUPACN-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine
SMILESCCCc1cccc(C(CCC2CCCCO2)NC)c1
InChIInChI=1S/C18H29NO/c1-3-7-15-8-6-9-16(14-15)18(19-2)12-11-17-10-4-5-13-20-17/h6,8-9,14,17-19H,3-5,7,10-13H2,1-2H3
InChIKeyFKVWBKCQCNBUDY-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.25
Rot. Bonds7

About N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine

N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine (PubChem CID 105050527) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine
PubChem CID105050527
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine
SMILESCCCc1cccc(C(CCC2CCCCO2)NC)c1
InChIInChI=1S/C18H29NO/c1-3-7-15-8-6-9-16(14-15)18(19-2)12-11-17-10-4-5-13-20-17/h6,8-9,14,17-19H,3-5,7,10-13H2,1-2H3
InChIKeyFKVWBKCQCNBUDY-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
CID 116545086
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 65299103
[3-(oxolan-2-yl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303812
1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105053635

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine?
The IUPAC name of N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine (CID 105050527) is N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine is CCCc1cccc(C(CCC2CCCCO2)NC)c1.
What is the InChIKey of N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine?
The InChIKey is FKVWBKCQCNBUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-7-15-8-6-9-16(14-15)18(19-2)12-11-17-10-4-5-13-20-17/h6,8-9,14,17-19H,3-5,7,10-13H2,1-2H3.
What are the key properties of N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine?
N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine is sourced from PubChem (CID 105050527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).