N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine

C16H25NO — CID 104660529

IUPACN-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)C1(C)CC1
InChIInChI=1S/C16H25NO/c1-4-12-18-14-9-7-6-8-13(14)15(17-5-2)16(3)10-11-16/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyQNYMBMXKTQLSRI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.93
Rot. Bonds7

About N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine

N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine (PubChem CID 104660529) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
PubChem CID104660529
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)C1(C)CC1
InChIInChI=1S/C16H25NO/c1-4-12-18-14-9-7-6-8-13(14)15(17-5-2)16(3)10-11-16/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyQNYMBMXKTQLSRI-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine
CID 105035384
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 82811953
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798
N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035932
N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 115801708
N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine
CID 105035820
N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104659903
[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclohexyl)methyl]hydrazine
CID 106831356
1-(3-chlorobutan-2-yl)-2-propoxybenzene
CID 104662450
1-(2-propoxyphenyl)ethanol
CID 43503976

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine (CID 104660529) is N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine is CCCOc1ccccc1C(NCC)C1(C)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine?
The InChIKey is QNYMBMXKTQLSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-12-18-14-9-7-6-8-13(14)15(17-5-2)16(3)10-11-16/h6-9,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine?
N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 104660529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).