N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine

C18H29NO — CID 102987150

IUPACN-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
SMILESCCCC(C)OCc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C18H29NO/c1-4-5-15(3)20-13-16-6-8-17(9-7-16)14(2)12-19-18-10-11-18/h6-9,14-15,18-19H,4-5,10-13H2,1-3H3
InChIKeyRCXLKWDEQMASKD-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.25
Rot. Bonds9

About N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine

N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine (PubChem CID 102987150) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
PubChem CID102987150
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
SMILESCCCC(C)OCc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C18H29NO/c1-4-5-15(3)20-13-16-6-8-17(9-7-16)14(2)12-19-18-10-11-18/h6-9,14-15,18-19H,4-5,10-13H2,1-3H3
InChIKeyRCXLKWDEQMASKD-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
CID 103285688
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984
N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 102987001
N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine
CID 106205781
N-[2-[4-(3,3-dimethylbutoxymethyl)phenyl]propyl]cyclopropanamine
CID 105351062
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
N-[2-[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346925
N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine
CID 114996272
N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347466
N-[2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347393

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine (CID 102987150) is N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine is CCCC(C)OCc1ccc(C(C)CNC2CC2)cc1.
What is the InChIKey of N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine?
The InChIKey is RCXLKWDEQMASKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-5-15(3)20-13-16-6-8-17(9-7-16)14(2)12-19-18-10-11-18/h6-9,14-15,18-19H,4-5,10-13H2,1-3H3.
What are the key properties of N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine?
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine is sourced from PubChem (CID 102987150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).