N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C14H20F3NO — CID 61491100

IUPACN-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCNC(CCCCOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H20F3NO/c1-18-13(12-7-3-2-4-8-12)9-5-6-10-19-11-14(15,16)17/h2-4,7-8,13,18H,5-6,9-11H2,1H3
InChIKeyGRVKSOGLPDCHRA-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.70
Rot. Bonds8

About N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 61491100) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID61491100
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCNC(CCCCOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H20F3NO/c1-18-13(12-7-3-2-4-8-12)9-5-6-10-19-11-14(15,16)17/h2-4,7-8,13,18H,5-6,9-11H2,1H3
InChIKeyGRVKSOGLPDCHRA-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.70
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-methyl-1-phenyl-4-propoxybutan-1-amine
CID 79570537
N-methyl-1-(3-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093466
N-(2-chloro-1-phenylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 65026203
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207182
2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 104845241
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 104845499
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430
1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148227
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
CID 114998457
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 61491100) is N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CNC(CCCCOCC(F)(F)F)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is GRVKSOGLPDCHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-18-13(12-7-3-2-4-8-12)9-5-6-10-19-11-14(15,16)17/h2-4,7-8,13,18H,5-6,9-11H2,1H3.
What are the key properties of N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 61491100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).