N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine

C14H21NO — CID 45097626

IUPACN-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine
SMILESCc1cc(C)c(OCCNC2CC2)cc1C
InChIInChI=1S/C14H21NO/c1-10-8-12(3)14(9-11(10)2)16-7-6-15-13-4-5-13/h8-9,13,15H,4-7H2,1-3H3
InChIKeyQJESBSWUGKAULV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine

N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine (PubChem CID 45097626) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine
PubChem CID45097626
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine
SMILESCc1cc(C)c(OCCNC2CC2)cc1C
InChIInChI=1S/C14H21NO/c1-10-8-12(3)14(9-11(10)2)16-7-6-15-13-4-5-13/h8-9,13,15H,4-7H2,1-3H3
InChIKeyQJESBSWUGKAULV-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.74
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-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
CID 63099519
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 115206845
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517327
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[2-(2-methylquinolin-8-yl)oxyethyl]cyclopropanamine
CID 43352216

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine (CID 45097626) is N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine is Cc1cc(C)c(OCCNC2CC2)cc1C.
What is the InChIKey of N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine?
The InChIKey is QJESBSWUGKAULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-8-12(3)14(9-11(10)2)16-7-6-15-13-4-5-13/h8-9,13,15H,4-7H2,1-3H3.
What are the key properties of N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine?
N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine has a molecular weight of 219.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 45097626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).