N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine

C18H23NOS — CID 107558814

IUPACN-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESc1ccc(CCCOCc2ccc(CNC3CC3)s2)cc1
InChIInChI=1S/C18H23NOS/c1-2-5-15(6-3-1)7-4-12-20-14-18-11-10-17(21-18)13-19-16-8-9-16/h1-3,5-6,10-11,16,19H,4,7-9,12-14H2
InChIKeyXSCNSOJQBWRFLO-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.15
Rot. Bonds9

About N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine

N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107558814) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107558814
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC NameN-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESc1ccc(CCCOCc2ccc(CNC3CC3)s2)cc1
InChIInChI=1S/C18H23NOS/c1-2-5-15(6-3-1)7-4-12-20-14-18-11-10-17(21-18)13-19-16-8-9-16/h1-3,5-6,10-11,16,19H,4,7-9,12-14H2
InChIKeyXSCNSOJQBWRFLO-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559240
N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558820
N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557963
N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
CID 107557088
N-(4-phenylmethoxybutyl)cyclopropanamine
CID 62445391
4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
CID 119128369
N-[[6-(3-phenylpropoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449855
5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine
CID 79774216
N-[[5-(butan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558549
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107555459

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine (CID 107558814) is N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine is c1ccc(CCCOCc2ccc(CNC3CC3)s2)cc1.
What is the InChIKey of N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is XSCNSOJQBWRFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-2-5-15(6-3-1)7-4-12-20-14-18-11-10-17(21-18)13-19-16-8-9-16/h1-3,5-6,10-11,16,19H,4,7-9,12-14H2.
What are the key properties of N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 301.45 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107558814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).