N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine

C17H27NO2 — CID 105188528

IUPACN-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H27NO2/c1-4-11-18-17(12-19-13(2)3)14-5-7-15(8-6-14)20-16-9-10-16/h5-8,13,16-18H,4,9-12H2,1-3H3
InChIKeyPLFUOJARLKCYFY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds9

About N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine

N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine (PubChem CID 105188528) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
PubChem CID105188528
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H27NO2/c1-4-11-18-17(12-19-13(2)3)14-5-7-15(8-6-14)20-16-9-10-16/h5-8,13,16-18H,4,9-12H2,1-3H3
InChIKeyPLFUOJARLKCYFY-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822
N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102981170
1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 105051444
1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 114519558
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013219
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575629
N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114519486
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
CID 105013280
N-[1-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013061

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine (CID 105188528) is N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine is CCCNC(COC(C)C)c1ccc(OC2CC2)cc1.
What is the InChIKey of N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The InChIKey is PLFUOJARLKCYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-11-18-17(12-19-13(2)3)14-5-7-15(8-6-14)20-16-9-10-16/h5-8,13,16-18H,4,9-12H2,1-3H3.
What are the key properties of N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 105188528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).