N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine

C16H25NO3 — CID 63912914

IUPACN-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1c(OC)cccc1OC)C1CC1
InChIInChI=1S/C16H25NO3/c1-4-10-17-13(12-8-9-12)11-20-16-14(18-2)6-5-7-15(16)19-3/h5-7,12-13,17H,4,8-11H2,1-3H3
InChIKeyDULZHGHQAAPTDH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.86
Rot. Bonds9

About N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine (PubChem CID 63912914) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine
PubChem CID63912914
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1c(OC)cccc1OC)C1CC1
InChIInChI=1S/C16H25NO3/c1-4-10-17-13(12-8-9-12)11-20-16-14(18-2)6-5-7-15(16)19-3/h5-7,12-13,17H,4,8-11H2,1-3H3
InChIKeyDULZHGHQAAPTDH-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103289329
N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 104749295
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63914018
1-cyclopropyl-3-(3-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 114054112
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline
CID 63906270
N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147214
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine (CID 63912914) is N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine is CCCNC(COc1c(OC)cccc1OC)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine?
The InChIKey is DULZHGHQAAPTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-10-17-13(12-8-9-12)11-20-16-14(18-2)6-5-7-15(16)19-3/h5-7,12-13,17H,4,8-11H2,1-3H3.
What are the key properties of N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63912914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).