N-(2-pentoxy-2-phenylethyl)cyclopropanamine

C16H25NO — CID 55036631

IUPACN-(2-pentoxy-2-phenylethyl)cyclopropanamine
SMILESCCCCCOC(CNC1CC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-3-7-12-18-16(13-17-15-10-11-15)14-8-5-4-6-9-14/h4-6,8-9,15-17H,2-3,7,10-13H2,1H3
InChIKeyZWWJFFQZNZHFIP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds9

About N-(2-pentoxy-2-phenylethyl)cyclopropanamine

N-(2-pentoxy-2-phenylethyl)cyclopropanamine (PubChem CID 55036631) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-pentoxy-2-phenylethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-pentoxy-2-phenylethyl)cyclopropanamine
PubChem CID55036631
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-pentoxy-2-phenylethyl)cyclopropanamine
SMILESCCCCCOC(CNC1CC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-3-7-12-18-16(13-17-15-10-11-15)14-8-5-4-6-9-14/h4-6,8-9,15-17H,2-3,7,10-13H2,1H3
InChIKeyZWWJFFQZNZHFIP-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.69
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-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 62106947
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294
N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine
CID 106205044
N-[2-phenyl-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82959482
1-pentoxypropylbenzene
CID 57033372
N-(2-phenylnonyl)cyclopropanamine
CID 65431169
1-pentoxybutylbenzene
CID 173061669
1-dodecoxyhexylbenzene
CID 174774790
N-[2-phenyl-2-(2-thiophen-2-ylethoxy)ethyl]cyclopropanamine
CID 62486353
N-[2-(2-ethylphenoxy)-2-phenylethyl]cyclopropanamine
CID 62485001
N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686545
N-(2-pentoxypentyl)cyclopropanamine
CID 83045907

Frequently Asked Questions

What is the IUPAC name of N-(2-pentoxy-2-phenylethyl)cyclopropanamine?
The IUPAC name of N-(2-pentoxy-2-phenylethyl)cyclopropanamine (CID 55036631) is N-(2-pentoxy-2-phenylethyl)cyclopropanamine.
What is the SMILES notation for N-(2-pentoxy-2-phenylethyl)cyclopropanamine?
The canonical SMILES for N-(2-pentoxy-2-phenylethyl)cyclopropanamine is CCCCCOC(CNC1CC1)c1ccccc1.
What is the InChIKey of N-(2-pentoxy-2-phenylethyl)cyclopropanamine?
The InChIKey is ZWWJFFQZNZHFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-7-12-18-16(13-17-15-10-11-15)14-8-5-4-6-9-14/h4-6,8-9,15-17H,2-3,7,10-13H2,1H3.
What are the key properties of N-(2-pentoxy-2-phenylethyl)cyclopropanamine?
N-(2-pentoxy-2-phenylethyl)cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentoxy-2-phenylethyl)cyclopropanamine is sourced from PubChem (CID 55036631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).