N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine

C19H31NO — CID 65331659

IUPACN-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(C)cc(C)cc1C)C1CCCOC1
InChIInChI=1S/C19H31NO/c1-5-8-20-19(17-7-6-9-21-13-17)12-18-15(3)10-14(2)11-16(18)4/h10-11,17,19-20H,5-9,12-13H2,1-4H3
InChIKeyNKOJSXJADFQJBS-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.95
Rot. Bonds6

About N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine

N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine (PubChem CID 65331659) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
PubChem CID65331659
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(C)cc(C)cc1C)C1CCCOC1
InChIInChI=1S/C19H31NO/c1-5-8-20-19(17-7-6-9-21-13-17)12-18-15(3)10-14(2)11-16(18)4/h10-11,17,19-20H,5-9,12-13H2,1-4H3
InChIKeyNKOJSXJADFQJBS-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 55150511
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
N-[2-(2,4-dimethylphenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755255
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 65333922
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
[2-(2,6-dimethylphenyl)-1-(oxan-3-yl)ethyl]hydrazine
CID 105229996
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
CID 65236041
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
N-ethyl-1-(4-methylcyclohexyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63415653

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine (CID 65331659) is N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine is CCCNC(Cc1c(C)cc(C)cc1C)C1CCCOC1.
What is the InChIKey of N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The InChIKey is NKOJSXJADFQJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-8-20-19(17-7-6-9-21-13-17)12-18-15(3)10-14(2)11-16(18)4/h10-11,17,19-20H,5-9,12-13H2,1-4H3.
What are the key properties of N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 65331659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).