N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine

C14H26F3NO — CID 62724582

IUPACN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C14H26F3NO/c1-2-18-11-13(7-4-3-5-8-13)9-6-10-19-12-14(15,16)17/h18H,2-12H2,1H3
InChIKeyOPRMSLBQEFPMMC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.91
Rot. Bonds8

About N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine

N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine (PubChem CID 62724582) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
PubChem CID62724582
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C14H26F3NO/c1-2-18-11-13(7-4-3-5-8-13)9-6-10-19-12-14(15,16)17/h18H,2-12H2,1H3
InChIKeyOPRMSLBQEFPMMC-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.91
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

4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
N,2,2-trimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961720
N-ethyl-2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961721
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961822
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961873
N-ethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083057
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489
N,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084087
N-ethyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084137
2-methyl-N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106502
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
CID 55106594

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine (CID 62724582) is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine is CCNCC1(CCCOCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
The InChIKey is OPRMSLBQEFPMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-2-18-11-13(7-4-3-5-8-13)9-6-10-19-12-14(15,16)17/h18H,2-12H2,1H3.
What are the key properties of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine?
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62724582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).