N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine

C19H31NO — CID 115844239

IUPACN-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C(C)C)cc1)C1CCC(C)O1
InChIInChI=1S/C19H31NO/c1-5-12-20-18(19-11-6-15(4)21-19)13-16-7-9-17(10-8-16)14(2)3/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3
InChIKeyZGKUEMKHMMMUMY-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.29
Rot. Bonds7

About N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine

N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine (PubChem CID 115844239) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
PubChem CID115844239
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C(C)C)cc1)C1CCC(C)O1
InChIInChI=1S/C19H31NO/c1-5-12-20-18(19-11-6-15(4)21-19)13-16-7-9-17(10-8-16)14(2)3/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3
InChIKeyZGKUEMKHMMMUMY-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115864188
1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569
N-[2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115840490
4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 115834351
N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 81330027
N-[1-(5-methyloxolan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104999639
N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105001653
N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115842084
N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988409
N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79757972
N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115796924
2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115843383

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine (CID 115844239) is N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C(C)C)cc1)C1CCC(C)O1.
What is the InChIKey of N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The InChIKey is ZGKUEMKHMMMUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-12-20-18(19-11-6-15(4)21-19)13-16-7-9-17(10-8-16)14(2)3/h7-10,14-15,18-20H,5-6,11-13H2,1-4H3.
What are the key properties of N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115844239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).