N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine

C16H25NO — CID 102987001

IUPACN-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
SMILESCCCC(C)OCc1cccc(CNC2CC2)c1
InChIInChI=1S/C16H25NO/c1-3-5-13(2)18-12-15-7-4-6-14(10-15)11-17-16-8-9-16/h4,6-7,10,13,16-17H,3,5,8-9,11-12H2,1-2H3
InChIKeyKUDYEGSURQNMCS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.64
Rot. Bonds8

About N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine

N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 102987001) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID102987001
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
SMILESCCCC(C)OCc1cccc(CNC2CC2)c1
InChIInChI=1S/C16H25NO/c1-3-5-13(2)18-12-15-7-4-6-14(10-15)11-17-16-8-9-16/h4,6-7,10,13,16-17H,3,5,8-9,11-12H2,1-2H3
InChIKeyKUDYEGSURQNMCS-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
CID 103285638
N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62443430
N-[[3-(hexoxymethyl)phenyl]methyl]cyclopropanamine
CID 62456252
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
CID 62442455

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine (CID 102987001) is N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine is CCCC(C)OCc1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is KUDYEGSURQNMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-5-13(2)18-12-15-7-4-6-14(10-15)11-17-16-8-9-16/h4,6-7,10,13,16-17H,3,5,8-9,11-12H2,1-2H3.
What are the key properties of N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine?
N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102987001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).