N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine

C16H25NO — CID 104662486

IUPACN-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine
SMILESCCCOc1ccccc1C(C)C(C)NC1CC1
InChIInChI=1S/C16H25NO/c1-4-11-18-16-8-6-5-7-15(16)12(2)13(3)17-14-9-10-14/h5-8,12-14,17H,4,9-11H2,1-3H3
InChIKeyJFUVHBAONXNGSX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.72
Rot. Bonds7

About N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine

N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine (PubChem CID 104662486) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine
PubChem CID104662486
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine
SMILESCCCOc1ccccc1C(C)C(C)NC1CC1
InChIInChI=1S/C16H25NO/c1-4-11-18-16-8-6-5-7-15(16)12(2)13(3)17-14-9-10-14/h5-8,12-14,17H,4,9-11H2,1-3H3
InChIKeyJFUVHBAONXNGSX-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-propoxyphenyl)butyl]cyclopropanamine
CID 113438607
1-(3-chlorobutan-2-yl)-2-propoxybenzene
CID 104662450
4-[[3-methyl-1-(2-propoxyphenyl)butyl]amino]cyclohexane-1-carboxylic acid
CID 122031839
1-(2-propoxyphenyl)ethanol
CID 43503976
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
CID 104660281
(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
CID 100556071
2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 105035388
[(4,4-difluorocyclohexyl)-(2-propoxyphenyl)methyl]hydrazine
CID 105334414
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopropanamine
CID 16777784
N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine
CID 43475308

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine?
The IUPAC name of N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine (CID 104662486) is N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine?
The canonical SMILES for N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine is CCCOc1ccccc1C(C)C(C)NC1CC1.
What is the InChIKey of N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine?
The InChIKey is JFUVHBAONXNGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-11-18-16-8-6-5-7-15(16)12(2)13(3)17-14-9-10-14/h5-8,12-14,17H,4,9-11H2,1-3H3.
What are the key properties of N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine?
N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine is sourced from PubChem (CID 104662486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).