N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine

C16H25NO3 — CID 62108597

IUPACN-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
SMILESCOCCCOC(CNC1CC1)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-18-10-3-11-20-16(12-17-14-6-7-14)13-4-8-15(19-2)9-5-13/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyWYRVWQWQZZRDEY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.54
Rot. Bonds10

About N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine

N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine (PubChem CID 62108597) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
PubChem CID62108597
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
SMILESCOCCCOC(CNC1CC1)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-18-10-3-11-20-16(12-17-14-6-7-14)13-4-8-15(19-2)9-5-13/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyWYRVWQWQZZRDEY-UHFFFAOYSA-N
XLogP2.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62107517
N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 82005990
N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 62106947
N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine
CID 62111242
N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine
CID 62111220
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine
CID 103401308
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
CID 71941895
N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 106667054
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine (CID 62108597) is N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine is COCCCOC(CNC1CC1)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine?
The InChIKey is WYRVWQWQZZRDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-10-3-11-20-16(12-17-14-6-7-14)13-4-8-15(19-2)9-5-13/h4-5,8-9,14,16-17H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine?
N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine has a molecular weight of 279.38 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 62108597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).