N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine

C9H15ClF3NO — CID 114757664

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine
SMILESFC(F)(F)OCCNCC1(CCCl)CC1
InChIInChI=1S/C9H15ClF3NO/c10-4-3-8(1-2-8)7-14-5-6-15-9(11,12)13/h14H,1-7H2
InChIKeyJPTISDQENMWVGO-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.52
Rot. Bonds7

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine (PubChem CID 114757664) has the molecular formula C9H15ClF3NO and a molecular weight of 245.67 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine
PubChem CID114757664
Molecular FormulaC9H15ClF3NO
Molecular Weight245.67 g/mol
Exact Mass245.08
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine
SMILESFC(F)(F)OCCNCC1(CCCl)CC1
InChIInChI=1S/C9H15ClF3NO/c10-4-3-8(1-2-8)7-14-5-6-15-9(11,12)13/h14H,1-7H2
InChIKeyJPTISDQENMWVGO-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
CID 65196621
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methylpentan-1-amine
CID 114757500
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine
CID 106457795
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
CID 102672590
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
CID 114757546
3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 115363591
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
CID 114756460
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine (CID 114757664) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine is FC(F)(F)OCCNCC1(CCCl)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine?
The InChIKey is JPTISDQENMWVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO/c10-4-3-8(1-2-8)7-14-5-6-15-9(11,12)13/h14H,1-7H2.
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine has a molecular weight of 245.67 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine is sourced from PubChem (CID 114757664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).