N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine

C17H27NO — CID 63914018

IUPACN-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1cccc(C(C)C)c1)C1CC1
InChIInChI=1S/C17H27NO/c1-4-10-18-17(14-8-9-14)12-19-16-7-5-6-15(11-16)13(2)3/h5-7,11,13-14,17-18H,4,8-10,12H2,1-3H3
InChIKeyCEDQPNHUCVKAQQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds8

About N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine (PubChem CID 63914018) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine
PubChem CID63914018
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1cccc(C(C)C)c1)C1CC1
InChIInChI=1S/C17H27NO/c1-4-10-18-17(14-8-9-14)12-19-16-7-5-6-15(11-16)13(2)3/h5-7,11,13-14,17-18H,4,8-10,12H2,1-3H3
InChIKeyCEDQPNHUCVKAQQ-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline
CID 63906270
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine
CID 63912914
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103289329
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 105049374
4-(3-propan-2-ylphenoxy)-2-(propylamino)butanenitrile
CID 63027244
N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 115778492
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine (CID 63914018) is N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine is CCCNC(COc1cccc(C(C)C)c1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine?
The InChIKey is CEDQPNHUCVKAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-10-18-17(14-8-9-14)12-19-16-7-5-6-15(11-16)13(2)3/h5-7,11,13-14,17-18H,4,8-10,12H2,1-3H3.
What are the key properties of N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63914018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).