1-[4-(trifluoromethyl)phenyl]decan-2-amine

C17H26F3N — CID 65426535

IUPAC1-[4-(trifluoromethyl)phenyl]decan-2-amine
SMILESCCCCCCCCC(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-16(21)13-14-9-11-15(12-10-14)17(18,19)20/h9-12,16H,2-8,13,21H2,1H3
InChIKeyXZNYJQSKMQHEAM-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.33
Rot. Bonds9

About 1-[4-(trifluoromethyl)phenyl]decan-2-amine

1-[4-(trifluoromethyl)phenyl]decan-2-amine (PubChem CID 65426535) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]decan-2-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]decan-2-amine
PubChem CID65426535
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name1-[4-(trifluoromethyl)phenyl]decan-2-amine
SMILESCCCCCCCCC(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-16(21)13-14-9-11-15(12-10-14)17(18,19)20/h9-12,16H,2-8,13,21H2,1H3
InChIKeyXZNYJQSKMQHEAM-UHFFFAOYSA-N
XLogP5.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.33
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

(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine
CID 146224491
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
5-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 115820554
4-(2-aminooctyl)phenol
CID 69403996
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]decan-2-amine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]decan-2-amine (CID 65426535) is 1-[4-(trifluoromethyl)phenyl]decan-2-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]decan-2-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]decan-2-amine is CCCCCCCCC(N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]decan-2-amine?
The InChIKey is XZNYJQSKMQHEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-16(21)13-14-9-11-15(12-10-14)17(18,19)20/h9-12,16H,2-8,13,21H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]decan-2-amine?
1-[4-(trifluoromethyl)phenyl]decan-2-amine has a molecular weight of 301.40 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]decan-2-amine is sourced from PubChem (CID 65426535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).