N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine

C17H27NO — CID 79762409

IUPACN-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCc2ccccc2C)CCO1
InChIInChI=1S/C17H27NO/c1-3-6-17-13-16(10-12-19-17)18-11-9-15-8-5-4-7-14(15)2/h4-5,7-8,16-18H,3,6,9-13H2,1-2H3
InChIKeyLEICDXKHGAHDRK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine

N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine (PubChem CID 79762409) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine
PubChem CID79762409
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCc2ccccc2C)CCO1
InChIInChI=1S/C17H27NO/c1-3-6-17-13-16(10-12-19-17)18-11-9-15-8-5-4-7-14(15)2/h4-5,7-8,16-18H,3,6,9-13H2,1-2H3
InChIKeyLEICDXKHGAHDRK-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
3-ethyl-N-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 79032945
N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine
CID 65230541
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79762958
1-N-[2-(2-methylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79763318
N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 78911476
6-[(2-propyloxan-4-yl)amino]hexan-1-ol
CID 103991516
N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903710
N-(2,6-dichlorophenyl)-2-propyloxan-4-amine
CID 65468926
7,7-dimethyl-N-[2-(2-methylphenyl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 79762694
4-tert-butyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 78911515
N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine
CID 103991250

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine (CID 79762409) is N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine is CCCC1CC(NCCc2ccccc2C)CCO1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine?
The InChIKey is LEICDXKHGAHDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-6-17-13-16(10-12-19-17)18-11-9-15-8-5-4-7-14(15)2/h4-5,7-8,16-18H,3,6,9-13H2,1-2H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine?
N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine is sourced from PubChem (CID 79762409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).