N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine

C16H25NO — CID 105349962

IUPACN-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
SMILESCCCOCc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-3-10-18-12-14-4-6-15(7-5-14)13(2)11-17-16-8-9-16/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyNJYXSUDVSLYRQM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.47
Rot. Bonds8

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

N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine (PubChem CID 105349962) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
PubChem CID105349962
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
SMILESCCCOCc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-3-10-18-12-14-4-6-15(7-5-14)13(2)11-17-16-8-9-16/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyNJYXSUDVSLYRQM-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine
CID 106205781
N-[2-[4-(3,3-dimethylbutoxymethyl)phenyl]propyl]cyclopropanamine
CID 105351062
N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
CID 103285688
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984
N-[2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347393
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
N-[2-[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346925
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine (CID 105349962) is N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine is CCCOCc1ccc(C(C)CNC2CC2)cc1.
What is the InChIKey of N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine?
The InChIKey is NJYXSUDVSLYRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-10-18-12-14-4-6-15(7-5-14)13(2)11-17-16-8-9-16/h4-7,13,16-17H,3,8-12H2,1-2H3.
What are the key properties of N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine?
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine is sourced from PubChem (CID 105349962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).