cycloheptyl-(2,3,4-trifluorophenyl)methanamine

C14H18F3N — CID 65399083

IUPACcycloheptyl-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1F)C1CCCCCC1
InChIInChI=1S/C14H18F3N/c15-11-8-7-10(12(16)13(11)17)14(18)9-5-3-1-2-4-6-9/h7-9,14H,1-6,18H2
InChIKeyORIQUDRMSVWVOI-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.07
Rot. Bonds2

About cycloheptyl-(2,3,4-trifluorophenyl)methanamine

cycloheptyl-(2,3,4-trifluorophenyl)methanamine (PubChem CID 65399083) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is cycloheptyl-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Namecycloheptyl-(2,3,4-trifluorophenyl)methanamine
PubChem CID65399083
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Namecycloheptyl-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1F)C1CCCCCC1
InChIInChI=1S/C14H18F3N/c15-11-8-7-10(12(16)13(11)17)14(18)9-5-3-1-2-4-6-9/h7-9,14H,1-6,18H2
InChIKeyORIQUDRMSVWVOI-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
6-[(S)-amino(cyclopentyl)methyl]-2,3-difluorophenol
CID 131317967
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262
(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine
CID 103852506
(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
CID 62965487
(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine
CID 103852507
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 65410711
thian-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 80626778
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
cyclohexyl-(2-fluoro-4-methylphenyl)methanamine
CID 114981199
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of cycloheptyl-(2,3,4-trifluorophenyl)methanamine (CID 65399083) is cycloheptyl-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for cycloheptyl-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for cycloheptyl-(2,3,4-trifluorophenyl)methanamine is NC(c1ccc(F)c(F)c1F)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is ORIQUDRMSVWVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-11-8-7-10(12(16)13(11)17)14(18)9-5-3-1-2-4-6-9/h7-9,14H,1-6,18H2.
What are the key properties of cycloheptyl-(2,3,4-trifluorophenyl)methanamine?
cycloheptyl-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 257.30 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 65399083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).