2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine

C18H29NO2 — CID 105035388

IUPAC2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1OCCOC)C(C)C1CC1
InChIInChI=1S/C18H29NO2/c1-4-11-19-18(14(2)15-9-10-15)16-7-5-6-8-17(16)21-13-12-20-3/h5-8,14-15,18-19H,4,9-13H2,1-3H3
InChIKeyVXVCQNAYIASEDD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.80
Rot. Bonds10

About 2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine

2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine (PubChem CID 105035388) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine
PubChem CID105035388
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1OCCOC)C(C)C1CC1
InChIInChI=1S/C18H29NO2/c1-4-11-19-18(14(2)15-9-10-15)16-7-5-6-8-17(16)21-13-12-20-3/h5-8,14-15,18-19H,4,9-13H2,1-3H3
InChIKeyVXVCQNAYIASEDD-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.80
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

2-ethyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylbutan-1-amine
CID 105035375
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105180504
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-2-yl)methyl]propan-1-amine
CID 104660569
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
2-cyclopropyl-1-(2-ethoxyphenyl)-N-methylpropan-1-amine
CID 115853704
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83149935
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
CID 104660281
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine (CID 105035388) is 2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine is CCCNC(c1ccccc1OCCOC)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine?
The InChIKey is VXVCQNAYIASEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-11-19-18(14(2)15-9-10-15)16-7-5-6-8-17(16)21-13-12-20-3/h5-8,14-15,18-19H,4,9-13H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine?
2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 105035388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).