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

C18H27NO — CID 106205781

IUPACN-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine
SMILESCC(CNC1CC1)c1ccc(COCCC2CC2)cc1
InChIInChI=1S/C18H27NO/c1-14(12-19-18-8-9-18)17-6-4-16(5-7-17)13-20-11-10-15-2-3-15/h4-7,14-15,18-19H,2-3,8-13H2,1H3
InChIKeyXVFNIIPBQGXROP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.86
Rot. Bonds9

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

N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine (PubChem CID 106205781) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine
PubChem CID106205781
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine
SMILESCC(CNC1CC1)c1ccc(COCCC2CC2)cc1
InChIInChI=1S/C18H27NO/c1-14(12-19-18-8-9-18)17-6-4-16(5-7-17)13-20-11-10-15-2-3-15/h4-7,14-15,18-19H,2-3,8-13H2,1H3
InChIKeyXVFNIIPBQGXROP-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.86
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-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
N-[2-[4-(3,3-dimethylbutoxymethyl)phenyl]propyl]cyclopropanamine
CID 105351062
N-[2-[4-(2-methylpentoxymethyl)phenyl]propyl]cyclopropanamine
CID 103285688
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
N-[2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347393
2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine
CID 106205912
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide
CID 106206559
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077554

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine (CID 106205781) is N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine is CC(CNC1CC1)c1ccc(COCCC2CC2)cc1.
What is the InChIKey of N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine?
The InChIKey is XVFNIIPBQGXROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(12-19-18-8-9-18)17-6-4-16(5-7-17)13-20-11-10-15-2-3-15/h4-7,14-15,18-19H,2-3,8-13H2,1H3.
What are the key properties of N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine?
N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-cyclopropylethoxymethyl)phenyl]propyl]cyclopropanamine is sourced from PubChem (CID 106205781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).