N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine

C16H25NO2 — CID 107890758

IUPACN-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
SMILESCCCC(C)Oc1ccc(CNC2CC2)cc1OC
InChIInChI=1S/C16H25NO2/c1-4-5-12(2)19-15-9-6-13(10-16(15)18-3)11-17-14-7-8-14/h6,9-10,12,14,17H,4-5,7-8,11H2,1-3H3
InChIKeyWMFCBSQUZGJFDX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.51
Rot. Bonds8

About N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine

N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine (PubChem CID 107890758) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
PubChem CID107890758
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
SMILESCCCC(C)Oc1ccc(CNC2CC2)cc1OC
InChIInChI=1S/C16H25NO2/c1-4-5-12(2)19-15-9-6-13(10-16(15)18-3)11-17-14-7-8-14/h6,9-10,12,14,17H,4-5,7-8,11H2,1-3H3
InChIKeyWMFCBSQUZGJFDX-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-nitro-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890727
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107890983
N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890884
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215948
1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119127138
N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890766
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine
CID 103920966
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 102987001

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine (CID 107890758) is N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine is CCCC(C)Oc1ccc(CNC2CC2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine?
The InChIKey is WMFCBSQUZGJFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-12(2)19-15-9-6-13(10-16(15)18-3)11-17-14-7-8-14/h6,9-10,12,14,17H,4-5,7-8,11H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine?
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 107890758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).