[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride

C14H17ClF3N — CID 66632831

IUPAC[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(C2=CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N.ClH/c15-14(16,17)13-8-10(9-18)6-7-12(13)11-4-2-1-3-5-11;/h4,6-8H,1-3,5,9,18H2;1H
InChIKeyKIFFVTCPVPYJJH-UHFFFAOYSA-N
MW291.74 g/mol
LogP4.54
Rot. Bonds2

About [4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride

[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 66632831) has the molecular formula C14H17ClF3N and a molecular weight of 291.74 g/mol. Its IUPAC name is [4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID66632831
Molecular FormulaC14H17ClF3N
Molecular Weight291.74 g/mol
Exact Mass291.10
IUPAC Name[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(C2=CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N.ClH/c15-14(16,17)13-8-10(9-18)6-7-12(13)11-4-2-1-3-5-11;/h4,6-8H,1-3,5,9,18H2;1H
InChIKeyKIFFVTCPVPYJJH-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 66632831) is [4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(C2=CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of [4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is KIFFVTCPVPYJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N.ClH/c15-14(16,17)13-8-10(9-18)6-7-12(13)11-4-2-1-3-5-11;/h4,6-8H,1-3,5,9,18H2;1H.
What are the key properties of [4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 291.74 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 66632831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).