N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine

C16H25NO2 — CID 83068746

IUPACN-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine
SMILESCOc1c(C)cc(CCOCCNC2CC2)cc1C
InChIInChI=1S/C16H25NO2/c1-12-10-14(11-13(2)16(12)18-3)6-8-19-9-7-17-15-4-5-15/h10-11,15,17H,4-9H2,1-3H3
InChIKeyVHMDHCURFNTHDM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.62
Rot. Bonds8

About N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine

N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine (PubChem CID 83068746) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine
PubChem CID83068746
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine
SMILESCOc1c(C)cc(CCOCCNC2CC2)cc1C
InChIInChI=1S/C16H25NO2/c1-12-10-14(11-13(2)16(12)18-3)6-8-19-9-7-17-15-4-5-15/h10-11,15,17H,4-9H2,1-3H3
InChIKeyVHMDHCURFNTHDM-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.62
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-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]-N-methylethanamine
CID 83068822
N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 65303577
N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine
CID 83068383
N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]cyclopropanamine
CID 65303492
N-[2-[2-(5-chloro-4-methylthiophen-2-yl)ethoxy]ethyl]cyclopropanamine
CID 102765255
N-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine
CID 65303412
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine
CID 115206741
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206963
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517327

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine (CID 83068746) is N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine is COc1c(C)cc(CCOCCNC2CC2)cc1C.
What is the InChIKey of N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine?
The InChIKey is VHMDHCURFNTHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-10-14(11-13(2)16(12)18-3)6-8-19-9-7-17-15-4-5-15/h10-11,15,17H,4-9H2,1-3H3.
What are the key properties of N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine?
N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 83068746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).