7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine

C17H26F3N — CID 107814952

IUPAC7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine
SMILESCC(C)CCCCCCNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H26F3N/c1-14(2)10-6-3-4-9-13-21-16(17(18,19)20)15-11-7-5-8-12-15/h5,7-8,11-12,14,16,21H,3-4,6,9-10,13H2,1-2H3
InChIKeyPOYKWEMWLARXTP-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.49
Rot. Bonds9

About 7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine

7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine (PubChem CID 107814952) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is 7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine
PubChem CID107814952
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine
SMILESCC(C)CCCCCCNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H26F3N/c1-14(2)10-6-3-4-9-13-21-16(17(18,19)20)15-11-7-5-8-12-15/h5,7-8,11-12,14,16,21H,3-4,6,9-10,13H2,1-2H3
InChIKeyPOYKWEMWLARXTP-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylsulfanyl-N-(2,2,2-trifluoro-1-phenylethyl)butan-1-amine
CID 113493950
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
CID 52652867
(2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
CID 150410606
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine
CID 107815640
4-methylsulfanyl-N-(2,2,2-trifluoro-1-phenylethyl)butan-2-amine
CID 113399602
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 114467427

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine?
The IUPAC name of 7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine (CID 107814952) is 7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine.
What is the SMILES notation for 7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine?
The canonical SMILES for 7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine is CC(C)CCCCCCNC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine?
The InChIKey is POYKWEMWLARXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-14(2)10-6-3-4-9-13-21-16(17(18,19)20)15-11-7-5-8-12-15/h5,7-8,11-12,14,16,21H,3-4,6,9-10,13H2,1-2H3.
What are the key properties of 7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine?
7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine is sourced from PubChem (CID 107814952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).