[1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine

C22H25F2NO — CID 70295481

IUPAC[1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
SMILESNCC1(c2cc(F)ccc2F)CCC(OC/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H25F2NO/c23-18-8-9-21(24)20(15-18)22(16-25)12-10-19(11-13-22)26-14-4-7-17-5-2-1-3-6-17/h1-9,15,19H,10-14,16,25H2/b7-4+
InChIKeyOSZXWQWLPZFGCO-QPJJXVBHSA-N
MW357.44 g/mol
LogP4.83
Rot. Bonds6

About [1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine

[1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine (PubChem CID 70295481) has the molecular formula C22H25F2NO and a molecular weight of 357.44 g/mol. Its IUPAC name is [1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
PubChem CID70295481
Molecular FormulaC22H25F2NO
Molecular Weight357.44 g/mol
Exact Mass357.19
IUPAC Name[1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine
SMILESNCC1(c2cc(F)ccc2F)CCC(OC/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H25F2NO/c23-18-8-9-21(24)20(15-18)22(16-25)12-10-19(11-13-22)26-14-4-7-17-5-2-1-3-6-17/h1-9,15,19H,10-14,16,25H2/b7-4+
InChIKeyOSZXWQWLPZFGCO-QPJJXVBHSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Cis-1-Phenyl-4-{[(2e)-3-Phenylprop-2-En-1-Yl]oxy}cyclohexyl)methanamine
CID 72725804
(4-Methoxy-1-phenylcyclohexyl)methanamine
CID 69089363
(1-Phenyl-4-phenylmethoxycyclohexyl)methanamine
CID 70297489
[4-Methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine
CID 71184623
[1-phenyl-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methylazanium
CID 117071974
5-[Bis(4-fluorophenyl)methoxy]pentan-1-amine
CID 70682934
4-(Aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol
CID 24730057
4-(Aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol
CID 25168429
2-[4-(4-Fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine
CID 68313975
5-Amino-4,4-bis(4-fluorophenyl)pentan-1-ol
CID 70102332
C-[1-(2,5-Difluoro-phenyl)-4-methoxy-cyclohexyl]-methylamine
CID 70296519
[4-[(E)-3-phenylprop-2-enoxy]-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine
CID 70297622

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
The IUPAC name of [1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine (CID 70295481) is [1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
The canonical SMILES for [1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine is NCC1(c2cc(F)ccc2F)CCC(OC/C=C/c2ccccc2)CC1.
What is the InChIKey of [1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
The InChIKey is OSZXWQWLPZFGCO-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H25F2NO/c23-18-8-9-21(24)20(15-18)22(16-25)12-10-19(11-13-22)26-14-4-7-17-5-2-1-3-6-17/h1-9,15,19H,10-14,16,25H2/b7-4+.
What are the key properties of [1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine?
[1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine has a molecular weight of 357.44 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-difluorophenyl)-4-[(E)-3-phenylprop-2-enoxy]cyclohexyl]methanamine is sourced from PubChem (CID 70295481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).